Chem
J-GLOBAL ID：200907020449436785   Nikkaji number：J2.207.229C

[1-Phenyl-3-(4-chlorophenyl)-3-oxopropyl]malonic acid diethyl ester

[1-フェニル-3-(4-クロロフェニル)-3-オキソプロピル]マロン酸ジエチル
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： C22H23ClO5
Molecular formula furigana： C22-H23-CL-O5
Molecular weight： 402.870
InChI： InChI=1S/C22H23ClO5/c1-3-27-21(25)20(22(26)28-4-2)18(15-8-6-5-7-9-15)14-19(24)16-10-12-17(23)13-11-16/h5-13,18,20H,3-4,14H2,1-2H3
InChI key： PXTARRQDZBUWRL-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(CC(=O)c1ccc(Cl)cc1)c1ccccc1)C(=O)OCC
Systematic name  (4)：
  • 2-[1-フェニル-3-オキソ-3-(4-クロロフェニル)プロピル]マロン酸ジエチル
  • [1-フェニル-3-(4-クロロフェニル)-3-オキソプロピル]マロン酸ジエチル
  • 1,3-ジエチル 2-[3-(4-クロロフェニル)-3-オキソ-1-フェニルプロピル]プロパンジオアート
  • 1,3-diethyl 2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioate
Other name (2)：
  • 2-[1-Phenyl-3-oxo-3-(4-chlorophenyl)propyl]malonic acid diethyl ester
  • [1-Phenyl-3-(4-chlorophenyl)-3-oxopropyl]malonic acid diethyl ester
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