Chem
J-GLOBAL ID:200907050960280510   Nikkaji number:J474.539F

2-[(E)-2-(Methoxycarbonyl)-1-propenyl]-3,3-dimethylcyclopropane-1-carboxylic acid 3-benzylbenzyl ester

2-[(E)-2-(メトキシカルボニル)-1-プロペニル]-3,3-ジメチルシクロプロパン-1-カルボン酸3-ベンジルベンジル
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: C25H28O4
Molecular formula furigana: C25-H28-O4
Molecular weight: 392.495
InChI: InChI=1S/C25H28O4/c1-17(23(26)28-4)13-21-22(25(21,2)3)24(27)29-16-20-12-8-11-19(15-20)14-18-9-6-5-7-10-18/h5-13,15,21-22H,14,16H2,1-4H3/b17-13+
InChI key: VTWKGSIOKGESBX-GHRIWEEISA-N
SMILES: COC(=O)/C(=C/C1C(C(=O)OCc2cccc(Cc3ccccc3)c2)C1(C)C)/C
Systematic name  (3):
  • 2-[(E)-2-(メトキシカルボニル)-1-プロペニル]-3,3-ジメチルシクロプロパン-1-カルボン酸3-ベンジルベンジル
  • (3-ベンジルフェニル)メチル 3-[(1E)-3-メトキシ-2-メチル-3-オキソプロパ-1-エン-1-イル]-2,2-ジメチルシクロプロパン-1-カルボキシラート
  • (3-benzylphenyl)methyl 3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate
Other name (1):
  • 2-[(E)-2-(Methoxycarbonyl)-1-propenyl]-3,3-dimethylcyclopropane-1-carboxylic acid 3-benzylbenzyl ester
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