Molecule FYI-1003004

A

Molecule Summary:

ID: FYI-1003004
Names:
InChIKey: UCLJSASYJKYCRD-UHFFFAOYSA-N
SMILES: C=CCOCC(CC)(COCC=C)COC(=O)Nc1ccc(C)c(NC(=O)OCC(CC)(COCC=C)COCC=C)c1

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003004 Edit

Molecule Structure InChIKey: UCLJSASYJKYCRD-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCOCC(CC)(COCC=C)COC(=O)Nc1ccc(C)c(NC(=O)OCC(CC)(COCC=C)COCC=C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1003004
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
   16.9741   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368   13.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   14.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   15.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
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 13 12  2  0  0  0  0
 14  6  1  0  0  0  0
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 22 21  2  0  0  0  0
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 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 24  2  0  0  0  0
 43 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003004-3D
FYIcenter.com

 93 93  0  0  0  0  0  0  0  0999 V2000
   10.0712    1.6484    4.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9824    2.2055    1.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6703    2.7659    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8371    3.9950   -2.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5873    4.5348   -3.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-05-31, 2308👍, 0💬