Molecule FYI-1004555

A

Molecule Summary:

ID: FYI-1004555
Names:
InChIKey: IVUMTLDAYVKLCW-VQHVLOKHSA-N
SMILES: CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OC(C)C)c1

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004555 Edit

Molecule Structure InChIKey: IVUMTLDAYVKLCW-VQHVLOKHSA-N

Molecule Structure SMILES String: CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OC(C)C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004555
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 19  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004555-3D
FYIcenter.com

 55 55  0  0  0  0  0  0  0  0999 V2000
    9.6232    3.1738    0.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1148    3.4408   -0.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    4.7792   -0.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5360    2.3278   -1.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6738    1.5525   -2.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0970    0.4733   -2.9863 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867   -0.9024   -2.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0418   -1.9751   -3.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5735   -3.3674   -3.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9970   -4.4181   -4.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1804   -5.0824   -4.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7936   -4.9107   -6.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2147   -4.5641   -7.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9479   -4.0765   -7.0206 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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 24 55  1  0  0  0  0
M  END
$$$$

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2023-09-23, 959👍, 0💬