Chem
J-GLOBAL ID：200907056796792286   Nikkaji number：J2.076.734K

(4-Ethynylphenyl)carbamic acid (1R)-2α-isopropyl-5β-methylcyclohexane-1β-yl ester

(4-エチニルフェニル)カルバミド酸(1R)-2α-イソプロピル-5β-メチルシクロヘキサン-1β-イル
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： C19H25NO2
Molecular formula furigana： C19-H25-N-O2
Molecular weight： 299.414
InChI： InChI=1S/C19H25NO2/c1-5-15-7-9-16(10-8-15)20-19(21)22-18-12-14(4)6-11-17(18)13(2)3/h1,7-10,13-14,17-18H,6,11-12H2,2-4H3,(H,20,21)/t14-,17+,18-/m1/s1
InChI key： AHXSBEFYPPVIQU-FHLIZLRMSA-N
SMILES： CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Nc1ccc(cc1)C#C
Systematic name  (3)：
  • (4-エチニルフェニル)カルバミド酸(1R)-2α-イソプロピル-5β-メチルシクロヘキサン-1β-イル
  • (1R,2S,5R)-5-メチル-2-(プロパン-2-イル)シクロヘキシル N-(4-エチニルフェニル)カルバマート
  • (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl N-(4-ethynylphenyl)carbamate
Other name (1)：
  • (4-Ethynylphenyl)carbamic acid (1R)-2α-isopropyl-5β-methylcyclohexane-1β-yl ester
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