Molecule FYI-1016274

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Molecule Summary:

ID: FYI-1016274
Names:
InChIKey: CLHYUGKFOABVFI-UHFFFAOYSA-N
SMILES: CN(C)CCOC(=O)C23CC1CC(CC(C1)C2)C3

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016274 Edit

Molecule Structure InChIKey: CLHYUGKFOABVFI-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCOC(=O)C23CC1CC(CC(C1)C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016274
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.8845    2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8617    2.7808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8617    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8389    2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8162    2.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935    2.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7707    2.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7707    3.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5670    2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0423    2.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7797    3.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3385    1.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606    3.5540    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  2  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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016274-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
    1.1994   -0.1039   -0.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9887    1.6220    0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7900   -0.3862   -0.1318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    0.2941    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103    0.0187   -1.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892    0.7867    1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5302   -1.5926    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283    0.4329   -1.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7068    1.1979    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0503   -1.1719    0.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7771    0.9230   -0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1216   -1.4428   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989   -0.6790    1.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198    0.7021   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5965    0.1765   -1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746   -0.6330    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5688   -1.1833    0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0998    1.0390    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347    0.1194   -2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7399    1.4318    1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6136   -2.6346    0.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9905   -0.1908   -2.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    1.4674   -1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6228    2.2513    0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2864    1.1283    2.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6081   -1.2962    1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4960   -1.8458   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395    0.6499   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7192    1.9673   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -2.1013   -1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1726   -1.7569   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8964   -0.7875    2.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3529   -0.9799    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8820   -0.1214   -2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    1.2579   -0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0206   -0.3980    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1496   -1.6961   -0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428   -1.0427    0.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3381   -0.9199    1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3679   -2.2515    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1851    1.1889    0.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7822    1.6344   -0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    1.4538    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2 14  2  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END
$$$$

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2025-12-09, 422👍, 0💬