Molecule FYI-1016668

A

Molecule Summary:

ID: FYI-1016668
Names:
InChIKey: NYLROTHZSNGALV-UHFFFAOYSA-N
SMILES: CCCCOC(=O)CCN(CC(C)C(=O)OCCCC)C(C)CC(=O)O

Received at FYIcenter.com on: 2026-02-09

Molecule ID: FYI-1016668 Edit

Molecule Structure InChIKey: NYLROTHZSNGALV-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016668
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   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
    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
    7.2747    2.8000    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
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    0.0000    4.2000    0.0000 C   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
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  1  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  2  0  0  0  0
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 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
  6 17  1  0  0  0  0
  5 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016668-3D
FYIcenter.com

 61 60  0  0  1  0  0  0  0  0999 V2000
    3.2462   -2.5473   -0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635   -1.9651   -1.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3715   -0.4320   -1.4535 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5144    0.0744   -2.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5639    1.5087   -2.4193 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6329    2.0851   -1.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3144    1.5534   -0.9419 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9205    3.4636   -2.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4438    3.6576   -2.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9514    4.9470   -2.9573 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271    6.1131   -2.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7284    6.2445   -0.6757 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1977    6.4157   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0504    7.4898   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7743    8.4912   -0.7542 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9894    7.3689    1.2421 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1707    8.5806    1.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8991    8.9263    2.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1079   10.1756    3.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8501   10.5504    4.3528 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4459    4.9312   -3.1129 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9568    3.7895   -4.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0034    6.2789   -3.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5130    6.3425   -3.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    5.7808   -2.7673 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2582   -2.3362   -2.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240   -2.3377   -1.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4161   -0.0472   -1.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3701   -0.2847   -3.3554 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4687   -0.3458   -1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4075    4.1972   -1.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5097    3.5259   -3.3923 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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  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
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  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
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 26 61  1  0  0  0  0
M  END
$$$$

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2026-03-22, 872👍, 0💬