Molecule FYI-1015892

A

Molecule Summary:

ID: FYI-1015892
Names:
InChIKey: WDDIPTSJWDYWGI-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(C(=O)NCCCCCCNC(=O)c1ccccc1)cc2

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015892 Edit

Molecule Structure InChIKey: WDDIPTSJWDYWGI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(C(=O)NCCCCCCNC(=O)c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015892
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7160    7.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929    8.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1840    9.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3609   10.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520   11.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8288   12.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200   13.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2968   14.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5880   15.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825   15.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023   14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9934   14.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1703   16.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0560   17.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7648   16.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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  7 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 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
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 27  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015892-3D
FYIcenter.com

 51 52  0  0  0  0  0  0  0  0999 V2000
   -1.0149   -1.6991   -0.4688 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -1.5383    0.5267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -0.3624    1.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121   -2.6151    1.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0602   -3.5681    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8702   -4.5967    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -4.6755    2.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0102   -5.7150    2.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427   -5.4603    3.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291   -6.9425    2.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7882   -8.0492    2.6132 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2054   -8.1035    2.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0402   -9.2517    2.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438  -10.6299    2.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2905  -11.7640    2.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6397  -13.1165    2.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4244  -14.2204    3.1333 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4268  -14.7856    2.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7245  -14.3802    1.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1714  -15.9303    2.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6082  -16.7836    3.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3298  -17.8909    4.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6079  -18.1495    3.8837 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1751  -17.2990    2.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4588  -16.1935    2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630   -3.7305    2.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7432   -2.7126    2.4721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4705   -0.3115    1.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641   -3.5035   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3128   -5.3014    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4041   -7.1324    1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2263   -8.9526    2.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1586  -19.0230    4.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1671  -17.5029    2.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001  -15.5418    1.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568   -3.7964    4.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2836   -2.0257    3.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 711👍, 0💬