Molecule Editor

Molecule ID: FYI-1015929 Edit

Molecule Structure InChIKey: ZLOIJRJCRYGMBF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC(=O)CCCCCCCCC(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015929
FYIcenter.com

 18 17  0  0  0  0  0  0  0  0999 V2000
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8611    1.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0916    1.9009    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  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  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 14  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015929-3D
FYIcenter.com

 46 45  0     0  0  0  0  0  0999 V2000
   -3.7234    1.5959   -0.8616 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7450   -1.0053    1.0754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    0.4670    0.8525 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8035   -0.0142   -0.7079 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271    0.5040   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -0.1191    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0843    0.0632    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8692    0.2652   -0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1887    0.6584   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470   -0.2979    0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    0.2456    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4008    0.0941   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7018    0.8543    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1532    0.9054    0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8618   -0.0353   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0177   -1.4502    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6915   -0.3822    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7797   -2.3488   -0.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    1.5972   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2286    0.2085   -1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989   -1.2119    0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.1911    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0143   -1.0313    0.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    0.3759    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439    1.3588   -0.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897   -0.0889   -1.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932    0.3328   -1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105    1.7527   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788   -1.3914    0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305    0.0637    1.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5315   -0.8457    0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3229    0.5631    1.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487   -0.3206   -1.6349 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4539    1.1860   -0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7031    0.9684    1.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1075    1.9115    0.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3052   -0.0799   -1.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8515    0.3776   -0.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6903   -0.1554    1.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5517   -1.4133    1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0347   -1.8944    0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2562   -2.4315   -1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8804   -3.3544   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7845   -1.9580   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7361    0.5074   -1.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7367   -0.2597   -0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 39  1  0  0  0  0
  4 17  1  0  0  0  0
  4 45  1  0  0  0  0
  4 46  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
M  END
$$$$