Chem
J-GLOBAL ID:200907048961838986   Nikkaji number:J2.159.607H

1-(4-Methylphenylethynyl)-2-hydroxy-2α-methylcyclopentane-1α-carboxylic acid ethyl ester

1-(4-メチルフェニルエチニル)-2-ヒドロキシ-2α-メチルシクロペンタン-1α-カルボン酸エチル
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: C18H22O3
Molecular formula furigana: C18-H22-O3
Molecular weight: 286.371
InChI: InChI=1S/C18H22O3/c1-4-21-16(19)18(12-5-11-17(18,3)20)13-10-15-8-6-14(2)7-9-15/h6-9,20H,4-5,11-12H2,1-3H3/t17-,18-/m0/s1
InChI key: MSZGNVGPUKWPOS-ROUUACIJSA-N
SMILES: CCOC(=O)[C@]1(CCC[C@]1(C)O)C#Cc1ccc(C)cc1
Systematic name  (3):
  • 1-(4-メチルフェニルエチニル)-2-ヒドロキシ-2α-メチルシクロペンタン-1α-カルボン酸エチル
  • エチル (1R,2S)-2-ヒドロキシ-2-メチル-1-[2-(4-メチルフェニル)エチニル]シクロペンタン-1-カルボキシラート
  • ethyl (1R,2S)-2-hydroxy-2-methyl-1-[2-(4-methylphenyl)ethynyl]cyclopentane-1-carboxylate
Other name (1):
  • 1-(4-Methylphenylethynyl)-2-hydroxy-2α-methylcyclopentane-1α-carboxylic acid ethyl ester
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