Chem
J-GLOBAL ID：200907087129692454   Nikkaji number：J2.565.130H

(3S)-2-Cyano-3-(4-methoxyphenyl)-3-(4-bromophenyl)propanoic acid methyl ester

(3S)-2-シアノ-3-(4-メトキシフェニル)-3-(4-ブロモフェニル)プロパン酸メチル
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： C18H16BrNO3
Molecular formula furigana： C18-H16-BR-N-O3
Molecular weight： 374.234
InChI： InChI=1S/C18H16BrNO3/c1-22-15-9-5-13(6-10-15)17(16(11-20)18(21)23-2)12-3-7-14(19)8-4-12/h3-10,16-17H,1-2H3/t16?,17-/m1/s1
InChI key： NUOIOIDZJIFKNU-ZYMOGRSISA-N
SMILES： COC(=O)C(C#N)[C@H](c1ccc(Br)cc1)c1ccc(OC)cc1
Systematic name  (3)：
  • (3S)-2-シアノ-3-(4-メトキシフェニル)-3-(4-ブロモフェニル)プロパン酸メチル
  • メチル (3S)-3-(4-ブロモフェニル)-2-シアノ-3-(4-メトキシフェニル)プロパノアート
  • methyl (3S)-3-(4-bromophenyl)-2-cyano-3-(4-methoxyphenyl)propanoate
Other name (1)：
  • (3S)-2-Cyano-3-(4-methoxyphenyl)-3-(4-bromophenyl)propanoic acid methyl ester
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