Molecule FYI-1005568

A

Molecule Summary:

ID: FYI-1005568
Names:
InChIKey: QBHCKLLJYWWZNV-UHFFFAOYSA-N
SMILES: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2NC(c3ccccc3)c4ccccc4

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005568 Edit

Molecule Structure InChIKey: QBHCKLLJYWWZNV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2NC(c3ccccc3)c4ccccc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005568
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 32 31  2  0  0  0  0
 32 10  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005568-3D
FYIcenter.com

 62 65  0  0  0  0  0  0  0  0999 V2000
    1.0322    0.0747    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5362   -0.0394    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0949    1.1603   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    1.0408   -0.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1731    2.2404   -1.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6748    2.1227   -1.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3093    1.1613   -1.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315    3.1483   -2.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820    2.6420   -3.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4302    3.4636   -3.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3628    3.9293   -5.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    5.3468   -5.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6992    6.1425   -6.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8716    5.7439   -4.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1454    6.1481   -2.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514    5.8567   -4.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 62  1  0  0  0  0
M  END
$$$$

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2023-11-13, 1558👍, 0💬