Molecule FYI-1014472

A

Molecule Summary:

ID: FYI-1014472
Names:
InChIKey: GHBRVENYOQDEFJ-QPJJXVBHSA-N
SMILES: COc4ccc(/C=C/c3cc(=O)c2c(O)cc(CN1CCNCC1)cc2o3)cc4

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014472 Edit

Molecule Structure InChIKey: GHBRVENYOQDEFJ-QPJJXVBHSA-N

Molecule Structure SMILES String: COc4ccc(/C=C/c3cc(=O)c2c(O)cc(CN1CCNCC1)cc2o3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014472
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3369   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 10  9  2  0  0  0  0
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 27 19  1  0  0  0  0
 28 27  2  0  0  0  0
 28 15  1  0  0  0  0
 29 28  1  0  0  0  0
 29 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014472-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.3230    0.4439   -2.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7369   -0.7736   -2.6425 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453   -1.8728   -1.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303   -1.8871   -0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8003   -3.0865    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2761   -4.2911   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5516   -5.5758    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6993   -5.7168    1.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2172   -6.9044    2.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5043   -6.8957    3.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468   -8.0292    4.0703 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4818   -8.1143    5.2706 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7693   -9.0149    3.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7031   -9.9746    3.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2025  -10.0667    4.7657 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1804  -10.8898    2.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2722  -11.7243   -0.6193 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5286  -11.2978   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7307   -9.7674    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4799   -9.0407   -1.1722 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4198   -3.0681   -2.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
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 29 53  1  0  0  0  0
M  END
$$$$

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2025-04-26, 783👍, 0💬