Molecule FYI-1014468

A

Molecule Summary:

ID: FYI-1014468
Names:
InChIKey: AOUWPPDKOPSBLJ-UHFFFAOYSA-N
SMILES: COc4cc(C(=O)c3cc(=O)c2c(O)cc(OC)c(CN1CCN(C)CC1)c2o3)ccc4O

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

Molecule ID: FYI-1014468 Edit

Molecule Structure InChIKey: AOUWPPDKOPSBLJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc(C(=O)c3cc(=O)c2c(O)cc(OC)c(CN1CCN(C)CC1)c2o3)ccc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014468
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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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  9  8  1  0  0  0  0
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 32 23  2  0  0  0  0
 32 16  1  0  0  0  0
 33 32  1  0  0  0  0
 33 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014468-3D
FYIcenter.com

 59 62  0  0  0  0  0  0  0  0999 V2000
    1.1688    5.0543   -4.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629    6.0384   -4.6428 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8415    5.9274   -3.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2729    5.4498   -2.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0214    5.4425   -1.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4803    4.9312    0.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    4.3584    0.9959 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0290    5.1403    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4737    4.3700    1.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7591    6.4835    0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2446    9.3397   -2.1881 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4293   10.2844   -1.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508   11.5967   -1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-04-26, 736👍, 0💬