Chem
J-GLOBAL ID：200907020469492762   Nikkaji number：J601.262K

[(S)-α-Phenylcinnamyl]malonic acid dimethyl ester

[(S)-α-フェニルシンナミル]マロン酸ジメチル
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： C20H20O4
Molecular formula furigana： C20-H20-O4
Molecular weight： 324.376
InChI： InChI=1S/C20H20O4/c1-23-19(21)18(20(22)24-2)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,17-18H,1-2H3/b14-13+/t17-/m1/s1
InChI key： RTUIHIVPYZLWPB-TUQDCPSNSA-N
SMILES： COC(=O)C([C@H](/C=C/c1ccccc1)c1ccccc1)C(=O)OC
Systematic name  (18)：
  • [(1S,2E)-1,3-ジフェニル-2-プロペニル]マロン酸ジメチル
  • (3S,4E)-2-(メトキシカルボニル)-3,5-ジフェニル-4-ペンテン酸メチル
  • (2S,3E)-2,4-ジフェニル-3-ブテン-1,1-ジカルボン酸ジメチル
  • 2-[(1S,2E)-1,3-ジフェニル-2-プロペニル]マロン酸ジメチル
  • [(S,E)-1,3-ジフェニルアリル]マロン酸ジメチル
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Other name (13)：
  • 2-[(1S,2E)-1,3-Diphenyl-2-propenyl]malonic acid dimethyl ester
  • [(S,E)-1,3-Diphenylallyl]malonic acid dimethyl ester
  • 2-[(S)-α-Phenylcinnamyl]malonic acid dimethyl ester
  • [(S)-α-Phenylcinnamyl]malonic acid dimethyl ester
  • [(S,E)-α-Phenylcinnamyl]malonic acid dimethyl ester
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