Molecule FYI-1016125

A

Molecule Summary:

ID: FYI-1016125
Names:
InChIKey: OCXYWQBZYIIALZ-UHFFFAOYSA-N
SMILES: O=C1CCCCC(=O)NCCCCCCOC(=O)CCCCC(=O)NCCCCCCN1

Received at FYIcenter.com on: 2025-11-24

Molecule ID: FYI-1016125 Edit

Molecule Structure InChIKey: OCXYWQBZYIIALZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCC(=O)NCCCCCCOC(=O)CCCCC(=O)NCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016125
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
   13.1645    9.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9521    8.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1111    9.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0266   10.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7617   11.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3900   11.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9911   11.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465   11.1311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4341   10.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   11.5504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6761    8.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2327    6.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201    5.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447    4.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8935    2.8848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345    1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8189    0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0838    0.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4554    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8543    0.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990    0.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4115    1.1459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4212    2.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5056    1.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1693    3.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6127    4.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7254    6.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5009    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2275    8.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2986    7.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30  2  1  0  0  0  0
  3 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016125-3D
FYIcenter.com

 75 75  0  0  0  0  0  0  0  0999 V2000
    5.5275    6.3176   -9.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5113    5.5286   -9.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6840    5.7721  -10.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5423    6.6033  -12.5301 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8567    6.4876  -13.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3076    7.0974  -14.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0740    6.9932  -15.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6014    7.3585  -16.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9056    6.3635  -14.2827 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0787    5.4794  -13.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0941    4.7333  -12.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5730    4.6756  -12.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8516    3.7803  -11.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4657    3.7294  -12.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5714    2.9035  -11.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    2.7567  -11.4247 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5274    2.4117  -10.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484    2.4108  -10.2908 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6282    2.6904   -8.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2288    2.4608   -7.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7406    2.8127   -7.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8961    2.5337   -6.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8363    1.8449   -4.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1876    5.6632  -12.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8806    4.2177  -10.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2781    2.8004  -11.3751 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3574    3.5484  -13.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0088    1.9151  -11.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5049    0.8651   -9.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6432    1.9834   -8.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    3.7877   -8.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 31 73  1  0  0  0  0
 31 74  1  0  0  0  0
 32 75  1  0  0  0  0
M  END
$$$$

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