Chem
J-GLOBAL ID：201207039676974201   Nikkaji number：J3.069.520H

Methyl[(E)-3-[(S)-1-methoxy-2-phenylethyl]-2,4-pentadienyl]malonic acid dimethyl ester

メチル[(E)-3-[(S)-1-メトキシ-2-フェニルエチル]-2,4-ペンタジエニル]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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-6-16(17(23-3)14-15-10-8-7-9-11-15)12-13-20(2,18(21)24-4)19(22)25-5/h6-12,17H,1,13-14H2,2-5H3/b16-12+/t17-/m0/s1
InChI key： KATQVUUZWCSIMT-MOKGIYGOSA-N
SMILES： CO[C@@H](Cc1ccccc1)/C(=C/CC(C)(C(=O)OC)C(=O)OC)/C=C
Systematic name  (3)：
  • メチル[(E)-3-[(S)-1-メトキシ-2-フェニルエチル]-2,4-ペンタジエニル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(2E)-3-[(1S)-1-メトキシ-2-フェニルエチル]ペンタ-2,4-ジエン-1-イル]-2-メチルプロパンジオアート
  • 1,3-dimethyl 2-[(2E)-3-[(1S)-1-methoxy-2-phenylethyl]penta-2,4-dien-1-yl]-2-methylpropanedioate
Other name (1)：
  • Methyl[(E)-3-[(S)-1-methoxy-2-phenylethyl]-2,4-pentadienyl]malonic acid dimethyl ester
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