Molecule Editor

Molecule ID: FYI-1006459 Edit

Molecule Structure InChIKey: SOJDTNUCCXWTMG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(C(=O)NC2(C(=O)O)Cc1ccccc1C2)cc3OCCc4cccc(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006459
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4832    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    4.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9526    4.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6526    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9526    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4101    2.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6575    2.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2360    2.0394    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 24  1  0  0  0  0
 31 22  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006459-3D
FYIcenter.com

 60 63  0     0  0  0  0  0  0999 V2000
   -0.0932    2.7011   -4.7382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0345    2.8773   -2.4663 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0544   -1.9807   -2.4702 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.4823    2.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830   -1.8712    3.8545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310    0.3118   -2.1237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0274    0.6895   -3.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.2032   -4.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2803    0.1188   -4.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -0.0575   -5.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7819   -0.1050   -5.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0503    2.1964   -3.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896   -0.2745   -6.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -0.3709   -6.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0675   -1.0114   -1.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5411   -0.5325   -7.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8603   -0.5807   -7.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0995   -1.2347   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424   -0.2639    0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4131   -2.4157    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726   -0.4737    1.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826   -2.6256    1.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1601   -1.6547    2.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5925    1.7702    2.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7563    2.4481    4.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    1.6788    5.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7926    0.7028    5.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3610   -3.1044    4.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$