Chem
J-GLOBAL ID：200907010823634639   Nikkaji number：J2.575.914A

2-[1-(4-Chlorophenyl)-3-oxo-3-(4-fluorophenyl)propyl]malonic acid diethyl ester

2-[1-(4-クロロフェニル)-3-オキソ-3-(4-フルオロフェニル)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： C22H22ClFO5
Molecular formula furigana： C22-H22-CL-F-O5
Molecular weight： 420.860
InChI： InChI=1S/C22H22ClFO5/c1-3-28-21(26)20(22(27)29-4-2)18(14-5-9-16(23)10-6-14)13-19(25)15-7-11-17(24)12-8-15/h5-12,18,20H,3-4,13H2,1-2H3
InChI key： XOMUYWKTEXTWLA-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1)C(=O)OCC
Systematic name  (3)：
  • 2-[1-(4-クロロフェニル)-3-オキソ-3-(4-フルオロフェニル)プロピル]マロン酸ジエチル
  • 1,3-ジエチル 2-[1-(4-クロロフェニル)-3-(4-フルオロフェニル)-3-オキソプロピル]プロパンジオアート
  • 1,3-diethyl 2-[1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-oxopropyl]propanedioate
Other name (1)：
  • 2-[1-(4-Chlorophenyl)-3-oxo-3-(4-fluorophenyl)propyl]malonic acid diethyl ester
Thsaurus map：
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