Molecule FYI-1010533

A

Molecule Summary:

ID: FYI-1010533
Names:
InChIKey: BEJZDTXXQNRWGS-RMKNXTFCSA-N
SMILES: COC(=O)/C=C/CNC(=O)C2C=CC=C1C(C)=CC(C)(C)NC12

Received at FYIcenter.com on: 2024-06-17

Molecule ID: FYI-1010533 Edit

Molecule Structure InChIKey: BEJZDTXXQNRWGS-RMKNXTFCSA-N

Molecule Structure SMILES String: COC(=O)/C=C/CNC(=O)C2C=CC=C1C(C)=CC(C)(C)NC12

Download SDF Download SVG Structure in 2D SDF:

FYI-1010533
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010533-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
   21.0629  -14.5891   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6466  -13.2187   -0.4701 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4609  -12.9612    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7575  -13.7653    0.7374 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1827  -11.5203    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1261  -10.9176    0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9099   -9.4416    0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6734   -9.0698   -0.0693 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5530   -7.8484   -0.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5209   -7.1097   -0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1421   -7.3878   -1.2066 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.4284   -8.6105   -1.7452 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4230   -9.1932   -1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9603   -8.6647    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4153   -7.5059    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7925   -6.8272    1.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2925   -3.7476    1.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6931   -3.5415    1.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7443   -5.2694   -0.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4543   -6.6255   -0.0089 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  5 27  1  0  0  0  0
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  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 30  1  0  0  0  0
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 16 18  2  3  0  0  0
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 23 47  1  0  0  0  0
M  END
$$$$

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2024-06-30, 1703👍, 0💬