Molecule Editor

Molecule ID: FYI-1015048 Edit

Molecule Structure InChIKey: OANULMCXPWCNOQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)(CO)COC(=O)Nc2ccc(Cc1ccccc1NC(=O)OCCCCO)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015048
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
   12.1206    2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    3.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1206    5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    4.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    3.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7084    5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0901    3.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5024    3.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841    2.7343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1206    6.9123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    7.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5252    1.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3918    3.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0729    1.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9923    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 14 31  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  2  0  0  0  0
 26 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015048-3D
FYIcenter.com

 67 68  0  0  1  0  0  0  0  0999 V2000
    0.9360   -1.2535   -4.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3165   -0.4001   -4.1614 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.9318   -4.1427   -3.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9148   -8.3303   -3.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$