Molecule FYI-1012947

A

Molecule Summary:

ID: FYI-1012947
Names:
InChIKey: UMIPEJOMXLMAKN-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(CCC(=O)O)CCC(=O)OCCCC

Received at FYIcenter.com on: 2024-10-31

Molecule ID: FYI-1012947 Edit

Molecule Structure InChIKey: UMIPEJOMXLMAKN-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCOC(=O)CCN(CCC(=O)O)CCC(=O)OCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1012947
FYIcenter.com

 24 23  0  0  0  0  0  0  0  0999 V2000
   19.3989    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012947-3D
FYIcenter.com

 55 54  0  0  0  0  0  0  0  0999 V2000
    2.2572    0.6013    1.7805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999   -0.6603    1.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490   -0.9407    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866   -2.2091    0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1009   -2.6211   -0.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4632   -2.6372   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160   -1.8681   -0.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785   -3.8346   -1.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003   -3.9977   -1.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8970   -5.2872   -2.2262 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4121   -5.4965   -3.6153 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5145   -6.1819   -6.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5021   -8.2090   -6.1593 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3835   -5.3191   -2.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1245   -5.7713   -1.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9412   -5.5450    0.4586 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8561   -6.6146    0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2719   -6.1242    0.9743 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1585   -7.3193    1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9526   -3.0355    0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791   -2.0932    1.2704 H   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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  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
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  9 37  1  0  0  0  0
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 17 18  1  0  0  0  0
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 24 55  1  0  0  0  0
M  END
$$$$

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2024-11-23, 405👍, 0💬