Molecule FYI-1014390

A

Molecule Summary:

ID: FYI-1014390
Names:
InChIKey: VVCQMNLDCSWQQM-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)OCC(COC(=O)Nc1cc(N=C=O)ccc1C)OC(=O)C(=C)C.C

Received at FYIcenter.com on: 2025-04-11

Molecule ID: FYI-1014390 Edit

Molecule Structure InChIKey: VVCQMNLDCSWQQM-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)OCC(COC(=O)Nc1cc(N=C=O)ccc1C)OC(=O)C(=C)C.C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014390
FYIcenter.com

 30 29  0  0  0  0  0  0  0  0999 V2000
   12.1245    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    5.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9742    6.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8495    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014390-3D
FYIcenter.com

 56 55  0  0  1  0  0  0  0  0999 V2000
    4.5218    5.8034    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    4.7470    1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    4.9113    2.8454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1287    3.3706    0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913    2.4414    1.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9074    1.7483   -1.1775 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2020    0.3552   -1.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6269    0.0954   -1.7706 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
$$$$

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2025-04-26, 646👍, 0💬