Molecule Editor

Molecule ID: FYI-1003688 Edit

Molecule Structure InChIKey: UKSWTFQUQNOKOF-FPLPWBNLSA-N

Molecule Structure SMILES String: CCCCCC/C=C\CCCCCCCCCC(=O)NCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003688
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   24.2487    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0362    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.9000    0.0000 C   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
   20.6114    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  1  0  0  0  0
  8  7  2  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 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003688-3D
FYIcenter.com

 71 71  0  0  0  0  0  0  0  0999 V2000
    4.2980   -9.2696   -4.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2810   -8.1706   -5.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1631   -7.8349   -3.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1518   -6.7320   -4.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320   -6.4010   -3.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.2975   -3.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9410   -4.9297   -2.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8804   -3.9845   -2.4969 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0749   -3.1660   -3.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8933   -1.6670   -3.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8799   -1.0745   -2.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3261   -1.3178   -2.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3072   -0.8004   -1.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7317   -1.0731   -2.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7458   -0.5735   -1.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1561   -0.8342   -1.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6010   -0.6137   -1.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7961   -1.1488   -2.4863 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6161   -0.2035   -0.5649 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0034   -0.4192   -0.9393 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9655    0.0924    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3957   -0.1117   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0396    0.8418   -1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3718    0.6625   -1.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0682   -0.4752   -1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4264   -1.4416   -0.2929 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0946   -1.2642    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6650   -9.5088   -5.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506   -8.9592   -3.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8266  -10.1810   -4.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7314   -7.2786   -5.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9004   -8.4929   -5.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9993   -1.1400   -4.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7006   -1.4927   -1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6972    0.0035   -2.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5106   -0.8379   -3.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
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  3 34  1  0  0  0  0
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  4 36  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  2  0  0  0  0
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 21 22  1  0  0  0  0
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 21 64  1  0  0  0  0
 22 23  1  0  0  0  0
 22 65  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
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 27 70  1  0  0  0  0
 28 71  1  0  0  0  0
M  END
$$$$