Chem
J-GLOBAL ID:200907027320720163   Nikkaji number:J472.975G

4-(4α-Pentylcyclohexan-1β-yl)benzoic acid 4-cyano-3-fluorophenyl ester

4-(4α-ペンチルシクロヘキサン-1β-イル)安息香酸4-シアノ-3-フルオロフェニル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C25H28FNO2
Molecular formula furigana: C25-H28-F-N-O2
Molecular weight: 393.502
InChI: InChI=1S/C25H28FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h10-16,18-19H,2-9H2,1H3/t18-,19-
InChI key: JHWDKPIJNPJWBS-WGSAOQKQSA-N
SMILES: CCCCC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Oc1ccc(C#N)c(F)c1
Systematic name  (3):
  • 4-(4α-ペンチルシクロヘキサン-1β-イル)安息香酸4-シアノ-3-フルオロフェニル
  • 4-シアノ-3-フルオロフェニル 4-[(1s,4r)-4-ペンチルシクロヘキシル]ベンゾアート
  • 4-cyano-3-fluorophenyl 4-[(1s,4r)-4-pentylcyclohexyl]benzoate
Other name (1):
  • 4-(4α-Pentylcyclohexan-1β-yl)benzoic acid 4-cyano-3-fluorophenyl ester
CAS registry number: 92118-84-8
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