Molecule FYI-1013762

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A

Molecule Summary:

ID: FYI-1013762
Names:
InChIKey: YDIIDRWHPFMLGR-UHFFFAOYSA-N
SMILES: CCCC(C(=O)c1ccccc1)N2CCCC2

Received at FYIcenter.com on: 2025-01-24

Molecule ID: FYI-1013762 Edit

Molecule Structure InChIKey: YDIIDRWHPFMLGR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(C(=O)c1ccccc1)N2CCCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013762
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013762-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
    0.0786    0.2468    2.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9512   -0.5170    0.1465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204    0.4662   -0.1514 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1266   -0.3712   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4927   -1.8893   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636   -1.6867   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7904   -2.6835   -0.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    1.8794    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2263    0.1868    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358    2.9654   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5668   -0.1670    0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214    4.3571   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9434    0.3397   -0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3856   -0.9897    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999    0.0076   -1.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421   -1.3217    0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0492   -0.8230   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102    0.3540   -1.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8544   -0.2603   -1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7726    0.4628   -0.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8317   -2.2528    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9816   -2.0052   -1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3732   -2.0071   -1.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6178   -1.5939    0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209   -3.0704    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7331   -3.5355   -0.7658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878    1.9894    1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    2.0708   -0.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414    2.8824   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4052    2.8500    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4034    4.4923    1.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2544    5.1172   -0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8427    4.5326   -0.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3286    1.0100   -1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   -1.3903    1.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.4009   -2.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3033   -1.9695    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0280   -1.0805   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1028👍, 0💬