Molecule FYI-1014215

A

Molecule Summary:

ID: FYI-1014215
Names:
InChIKey: FXAFLJKTZPCBJS-UHFFFAOYSA-N
SMILES: COC(=O)CCC(=O)OCCN2C(C)(C)CC(OC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C)CC2(C)C

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014215 Edit

Molecule Structure InChIKey: FXAFLJKTZPCBJS-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)CCC(=O)OCCN2C(C)(C)CC(OC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C)CC2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014215
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
   17.9992    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8240    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6116    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9743    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3116    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9116    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0365    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   13.8123    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  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 17 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 23  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 35 39  2  0  0  0  0
 38 40  1  0  0  0  0
 38 41  2  0  0  0  0
 40 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014215-3D
FYIcenter.com

 96 97  0  0  0  0  0  0  0  0999 V2000
    1.2312   -1.3046    1.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447   -1.4526    1.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -2.6935    2.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508   -3.6073    2.3867 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5180   -2.7492    2.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9871   -4.1298    2.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4847   -4.1501    2.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1515   -3.2172    3.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9319   -5.3570    2.3551 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009   -5.6290    2.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2355   -5.0715    1.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6865   -5.1838    1.8000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351   -6.5609    1.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671   -7.4153    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8030   -7.3602    3.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7712   -6.5333    1.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3002   -5.5731    3.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7246   -5.6426    2.9677 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -6.6926    3.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7070   -7.3329    4.5286 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6096   -7.0305    3.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6913   -6.1989    3.7303 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0407   -6.6330    3.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9265   -7.0142    3.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1310   -6.5153    1.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4336   -6.7755    1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4149   -7.9259    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7126   -8.3776   -0.2775 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5046   -9.4658   -1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7098   -8.9048   -2.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7109  -10.6981   -0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8391   -9.9651   -1.9124 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8440  -10.3659   -0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0606  -10.7814   -1.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1151   -9.1566    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8541   -8.5589    0.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4232   -7.1919    1.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4947   -9.4441    1.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8740   -4.1846    2.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3338   -4.0332    2.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1391   -2.7102    1.7048 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7718   -3.7878    3.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209   -0.2727    1.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408   -1.5019    2.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8455   -1.9725    0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401   -1.9991    2.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -2.4949    1.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545   -4.8735    1.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5770   -4.4173    3.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319   -6.7132    2.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5439   -5.2839    3.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9520   -4.0377    1.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9819   -5.5651    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7915   -7.6008    0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3524   -8.3986    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1991   -6.9322   -0.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8035   -7.7842    3.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8609   -6.7715    4.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4482   -8.2363    3.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1746   -6.2531    0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1744   -7.5404    2.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9411   -5.7908    4.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5788   -6.8916    1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7846   -8.1018    3.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6679   -6.3279    4.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5703   -5.1290    3.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0850   -7.0372    2.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7917   -5.8530    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7489   -7.5861   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8952   -8.7653    0.7952 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6678   -8.6766   -2.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6782   -9.6389   -3.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1779   -7.9977   -2.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6858  -10.4449   -0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1868  -11.1932    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6240  -11.4523   -1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2802   -9.1852   -2.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.6733  -10.8164   -2.5868 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4910  -11.2106   -0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4217  -10.0111   -1.9552 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5933   -8.3893   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8752   -9.4136    0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5508   -6.4885    0.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4102   -7.3320    1.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.8568   -6.6869    1.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3669  -10.4937    1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5776   -9.1323    2.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2910   -9.4110    2.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3459   -3.9526    1.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2991   -3.4493    3.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4748   -2.8155    0.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7315   -1.9010    2.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   -2.3589    1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8595   -4.6657    4.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7228   -3.4823    3.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   -2.9713    4.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 50  1  0  0  0  0
 10 51  1  0  0  0  0
 11 12  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 62  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 28  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 28 29  1  0  0  0  0
 28 36  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 32 33  1  0  0  0  0
 32 77  1  0  0  0  0
 32 78  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 79  1  0  0  0  0
 34 80  1  0  0  0  0
 35 36  1  0  0  0  0
 35 81  1  0  0  0  0
 35 82  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 37 85  1  0  0  0  0
 38 86  1  0  0  0  0
 38 87  1  0  0  0  0
 38 88  1  0  0  0  0
 39 40  1  0  0  0  0
 39 89  1  0  0  0  0
 39 90  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 91  1  0  0  0  0
 41 92  1  0  0  0  0
 41 93  1  0  0  0  0
 42 94  1  0  0  0  0
 42 95  1  0  0  0  0
 42 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 402👍, 0💬