Molecule FYI-1001722

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A

Molecule Summary:

ID: FYI-1001722
SMILES: CCCCC1(Cc2cc(OCCCC3NC(=O)CC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Received at FYIcenter.com on: 2022-11-17

Molecule ID: FYI-1001722 Edit

Molecule Structure SMILES String: CCCCC1(Cc2cc(OCCCC3NC(=O)CC3=O)c(Cl)c(Cl)c2C1=O)C4CCCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001722
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   12.6013   11.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033   10.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    9.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3033    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6013    6.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2051    6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    5.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815    2.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0499    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6182    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3962    1.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5147    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    2.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9132    0.9317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    3.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3448    2.3357    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    4.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1723    5.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4579    4.9616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8117    5.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1240    5.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1975    7.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8868    7.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
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 13 12  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21  9  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
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 25 23  2  0  0  0  0
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 27 26  2  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001722-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    1.9076   -0.2122    2.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -0.2886    1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2618   -1.6953    1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0046   -1.6840   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -2.9155   -0.6434 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.6901   -5.6515    9.5144 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336   -5.1155   10.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8877   -5.2932   11.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5857   -4.4036    9.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629   -3.7654    9.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -6.8448    2.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5347   -8.3917    2.5217 Cl  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
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  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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 21 22  1  0  0  0  0
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 26 27  2  0  0  0  0
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 29 30  1  0  0  0  0
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 32 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-02, 1806👍, 0💬