Molecule FYI-1001996

Home > Molecule

A

Molecule Summary:

ID: FYI-1001996
SMILES: CCCCCC=CCC=CCCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCCC=CCC=CCCCCC

Received at FYIcenter.com on: 2023-01-13

Molecule ID: FYI-1001996 Edit

Molecule Structure SMILES String: CCCCCC=CCC=CCCCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCCC=CCC=CCCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001996
FYIcenter.com

 46 45  0  0  0  0  0  0  0  0999 V2000
   43.6477    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4353    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2229    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0104    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7980    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5856    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 19  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001996-3D
FYIcenter.com

125124  0  0  1  0  0  0  0  0999 V2000
    9.3401   -3.4002   -5.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8283   -2.9266   -4.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3630   -3.8087   -3.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8507   -3.3326   -2.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3884   -4.2193   -1.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8948   -3.7626    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7304   -3.3774    1.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395   -2.9146    2.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7564   -3.7759    3.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5129   -3.2754    4.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0251   -4.1425    5.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5419   -4.1204    5.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0563   -5.0030    6.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5699   -4.9566    6.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1261   -5.8203    8.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6454   -5.7480    8.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1420   -6.6321    9.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6458   -6.6570    9.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1097   -7.5708   10.3856 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.6202   -8.9229   10.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0482   -9.5560    9.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7796   -9.0651    8.1882 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5286  -10.9534    8.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5363  -11.8071    8.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9090  -11.8850    8.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8474  -12.4762   10.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3146  -13.8371   10.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1755  -12.4688   10.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6388   -7.5687   10.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1999   -6.1799   10.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7152   -6.2241   10.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2636   -4.8243   10.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7811   -4.8519   10.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3268   -3.4496   11.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8478   -3.4789   11.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3999   -2.0778   11.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8858   -2.0942   11.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5809   -1.6680   12.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0661   -1.6846   12.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6196   -0.3180   12.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3884   -0.0174   13.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9433    1.3515   14.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4665    1.3231   14.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0225    2.7264   14.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5458    2.7041   14.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0978    4.1009   14.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9515   -2.7618   -6.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0218   -4.4287   -6.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4335   -3.3661   -6.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7322   -2.9445   -4.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1368   -1.8873   -4.4861 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4600   -3.7927   -3.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546   -4.8483   -3.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536   -3.3485   -2.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1598   -2.2928   -2.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844   -4.2036   -1.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -5.2570   -1.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8224   -3.7444    0.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021   -3.3916    1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1437   -2.9342    2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5514   -1.8762    2.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5130   -4.8319    3.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7592   -2.2203    4.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6795   -5.1732    5.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6281   -3.7849    6.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9038   -3.0944    5.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9467   -4.4726    4.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7095   -6.0356    6.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6654   -4.6552    7.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9140   -3.9246    7.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9570   -5.3083    5.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7931   -6.8585    7.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7463   -5.4856    9.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9874   -4.7127    8.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0256   -6.1089    7.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7767   -7.6410    8.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7206   -6.2900   10.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0149   -5.6381    9.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0623   -6.9978    8.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7145   -7.2102   11.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5754  -10.9101    8.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3675  -11.3871    9.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6503  -11.3881    7.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1446  -12.8211    7.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3131  -10.8668    8.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6092  -12.4411    8.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2757  -13.8634    9.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2901  -14.2535   11.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9105  -14.4968    9.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5628  -11.4470   10.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8867  -13.0700   10.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.1296  -12.8641   11.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0567   -7.9574    9.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9731   -8.2489   11.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8108   -5.7684   11.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8908   -5.5065    9.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0974   -6.6331    9.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0493   -6.8892   11.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8756   -4.4190   11.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9215   -4.1597   10.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1694   -5.2580   10.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1221   -5.5151   11.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9387   -3.0444   12.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9834   -2.7855   10.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.2296   -3.8880   10.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1853   -4.1479   12.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0021   -1.6749   12.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0641   -1.4139   10.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.4222   -2.4514   10.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0324   -1.3243   13.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4699   -2.0821   11.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.3847   -2.3545   13.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4103    0.4583   12.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6126   -0.7839   14.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.5483    1.7584   15.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6179    2.0195   13.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8647    0.9078   13.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.8003    0.6673   14.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6289    3.1362   15.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6853    3.3891   13.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.9427    2.2988   13.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.8856    2.0454   15.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.7913    4.7713   13.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.1908    4.0771   14.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.7360    4.5165   15.5732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 47  1  0  0  0  0
  1 48  1  0  0  0  0
  1 49  1  0  0  0  0
  2  3  1  0  0  0  0
  2 50  1  0  0  0  0
  2 51  1  0  0  0  0
  3  4  1  0  0  0  0
  3 52  1  0  0  0  0
  3 53  1  0  0  0  0
  4  5  1  0  0  0  0
  4 54  1  0  0  0  0
  4 55  1  0  0  0  0
  5  6  1  0  0  0  0
  5 56  1  0  0  0  0
  5 57  1  0  0  0  0
  6  7  2  3  0  0  0
  6 58  1  0  0  0  0
  7  8  1  0  0  0  0
  7 59  1  0  0  0  0
  8  9  1  0  0  0  0
  8 60  1  0  0  0  0
  8 61  1  0  0  0  0
  9 10  2  3  0  0  0
  9 62  1  0  0  0  0
 10 11  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 13  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 15  1  0  0  0  0
 14 70  1  0  0  0  0
 14 71  1  0  0  0  0
 15 16  1  0  0  0  0
 15 72  1  0  0  0  0
 15 73  1  0  0  0  0
 16 17  1  0  0  0  0
 16 74  1  0  0  0  0
 16 75  1  0  0  0  0
 17 18  1  0  0  0  0
 17 76  1  0  0  0  0
 17 77  1  0  0  0  0
 18 19  1  0  0  0  0
 18 78  1  0  0  0  0
 18 79  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 19 80  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 81  1  0  0  0  0
 23 82  1  0  0  0  0
 24 25  1  0  0  0  0
 24 83  1  0  0  0  0
 24 84  1  0  0  0  0
 25 26  1  0  0  0  0
 25 85  1  0  0  0  0
 25 86  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 87  1  0  0  0  0
 27 88  1  0  0  0  0
 27 89  1  0  0  0  0
 28 90  1  0  0  0  0
 28 91  1  0  0  0  0
 28 92  1  0  0  0  0
 29 30  1  0  0  0  0
 29 93  1  0  0  0  0
 29 94  1  0  0  0  0
 30 31  1  0  0  0  0
 30 95  1  0  0  0  0
 30 96  1  0  0  0  0
 31 32  1  0  0  0  0
 31 97  1  0  0  0  0
 31 98  1  0  0  0  0
 32 33  1  0  0  0  0
 32 99  1  0  0  0  0
 32100  1  0  0  0  0
 33 34  1  0  0  0  0
 33101  1  0  0  0  0
 33102  1  0  0  0  0
 34 35  1  0  0  0  0
 34103  1  0  0  0  0
 34104  1  0  0  0  0
 35 36  1  0  0  0  0
 35105  1  0  0  0  0
 35106  1  0  0  0  0
 36 37  1  0  0  0  0
 36107  1  0  0  0  0
 36108  1  0  0  0  0
 37 38  2  3  0  0  0
 37109  1  0  0  0  0
 38 39  1  0  0  0  0
 38110  1  0  0  0  0
 39 40  1  0  0  0  0
 39111  1  0  0  0  0
 39112  1  0  0  0  0
 40 41  2  3  0  0  0
 40113  1  0  0  0  0
 41 42  1  0  0  0  0
 41114  1  0  0  0  0
 42 43  1  0  0  0  0
 42115  1  0  0  0  0
 42116  1  0  0  0  0
 43 44  1  0  0  0  0
 43117  1  0  0  0  0
 43118  1  0  0  0  0
 44 45  1  0  0  0  0
 44119  1  0  0  0  0
 44120  1  0  0  0  0
 45 46  1  0  0  0  0
 45121  1  0  0  0  0
 45122  1  0  0  0  0
 46123  1  0  0  0  0
 46124  1  0  0  0  0
 46125  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-02-05, 1881👍, 0💬