Chem
J-GLOBAL ID：200907091742771674
Nikkaji number：J2.565.131F
(3S)-2-Cyano-3-phenyl-3-(4-methylphenyl)propanoic acid methyl ester
(3S)-2-シアノ-3-フェニル-3-(4-メチルフェニル)プロパン酸メチル
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
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
Molecular formula： C18H17NO2
Molecular formula furigana： C18-H17-N-O2
Molecular weight： 279.339
InChI：
InChI=1S/C18H17NO2/c1-13-8-10-15(11-9-13)17(14-6-4-3-5-7-14)16(12-19)18(20)21-2/h3-11,16-17H,1-2H3/t16?,17-/m0/s1
InChI key：
SCXQBOYFCOXBHT-DJNXLDHESA-N
SMILES：
COC(=O)C(C#N)[C@@H](c1ccccc1)c1ccc(C)cc1
Systematic name (3)：
- (3S)-2-シアノ-3-フェニル-3-(4-メチルフェニル)プロパン酸メチル
- メチル (3S)-2-シアノ-3-(4-メチルフェニル)-3-フェニルプロパノアート
- methyl (3S)-2-cyano-3-(4-methylphenyl)-3-phenylpropanoate
- (3S)-2-Cyano-3-phenyl-3-(4-methylphenyl)propanoic acid methyl ester
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