Molecule FYI-1014835

A

Molecule Summary:

ID: FYI-1014835
Names:
InChIKey: KLVMLUFLJDNQQK-UHFFFAOYSA-N
SMILES: CN(C)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(N(C)C)cc1)cc2

Received at FYIcenter.com on: 2025-05-28

Molecule ID: FYI-1014835 Edit

Molecule Structure InChIKey: KLVMLUFLJDNQQK-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c2ccc(C(=O)OCCOCCOC(=O)c1ccc(N(C)C)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014835
FYIcenter.com

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6376   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376   17.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126   17.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   18.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 20 22  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014835-3D
FYIcenter.com

 57 58  0     0  0  0  0  0  0999 V2000
    4.3199   -0.0483   -0.2151 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    2.1764   -0.6157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6452   -2.2139    0.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    3.4436    1.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315   -3.5995   -1.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5885    1.9104   -0.7878 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2228    2.1288   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736   -2.0788    0.5392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797    2.5607    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -2.5982   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0856   -1.7570    0.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4947    3.1045    0.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436   -3.1799   -0.8633 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0350   -2.3996    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6772   -2.1116    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
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  5 25  2  0  0  0  0
  6  8  1  0  0  0  0
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  6 27  1  0  0  0  0
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  7 29  1  0  0  0  0
  8 12  2  0  0  0  0
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 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
M  END
$$$$

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