Molecule FYI-1005488

A

Molecule Summary:

ID: FYI-1005488
Names:
InChIKey: NGXSQFGRLLHSJN-UIVIUUJSSA-N
SMILES: CC4=C3C[C@H]2[C@@H](CC=C1CC(Cl)CC[C@@]12C)[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C.O=C(O)C(F)(F)F

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005488 Edit

Molecule Structure InChIKey: NGXSQFGRLLHSJN-UIVIUUJSSA-N

Molecule Structure SMILES String: CC4=C3C[C@H]2[C@@H](CC=C1CC(Cl)CC[C@@]12C)[C@@H]3CC[C@]46O[C@@H]5C[C@H](C)CN[C@H]5[C@H]6C.O=C(O)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1005488
FYIcenter.com

 37 41  0  0  1  0  0  0  0  0999 V2000
    4.8106    5.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    4.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655    3.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2515    1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6098    1.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5824    2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1966    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5071    3.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1213    4.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    5.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4521    5.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1941    6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942    7.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7871    9.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3858    9.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6220   10.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788   11.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2408   13.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163   14.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5782   15.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3299   14.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   13.4201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   12.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3787   10.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0877    9.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    7.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961    7.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8965    8.6456    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7166    6.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1046    6.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0322    7.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5184    9.7813    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6539    8.1594    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2752    8.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  1  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 12 13  1  6  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
 19 18  1  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  1  6  0  0  0
 26 25  1  0  0  0  0
 26 17  1  0  0  0  0
 26 27  1  6  0  0  0
 28 17  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  6  0  0  0
 30 11  1  0  0  0  0
 30 14  1  0  0  0  0
 31 37  1  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
 34 37  1  0  0  0  0
 35 37  1  0  0  0  0
 37 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005488-3D
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