Chem
J-GLOBAL ID:200907049008491720   Nikkaji number:J2.630.085A

[(S)-1-(4-Bromophenyl)-3-oxobutyl]malonic acid diethyl ester

[(S)-1-(4-ブロモフェニル)-3-オキソブチル]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: C17H21BrO5
Molecular formula furigana: C17-H21-BR-O5
Molecular weight: 385.254
InChI: InChI=1S/C17H21BrO5/c1-4-22-16(20)15(17(21)23-5-2)14(10-11(3)19)12-6-8-13(18)9-7-12/h6-9,14-15H,4-5,10H2,1-3H3/t14-/m1/s1
InChI key: ABXDEQNGELZGKK-CQSZACIVSA-N
SMILES: CCOC(=O)C([C@H](CC(=O)C)c1ccc(Br)cc1)C(=O)OCC
Systematic name  (4):
  • [(S)-1-(4-ブロモフェニル)-3-オキソブチル]マロン酸ジエチル
  • 2-[(S)-1-(4-ブロモフェニル)-3-オキソブチル]マロン酸ジエチル
  • 1,3-ジエチル 2-[(1S)-1-(4-ブロモフェニル)-3-オキソブチル]プロパンジオアート
  • 1,3-diethyl 2-[(1S)-1-(4-bromophenyl)-3-oxobutyl]propanedioate
Other name (2):
  • [(S)-1-(4-Bromophenyl)-3-oxobutyl]malonic acid diethyl ester
  • 2-[(S)-1-(4-Bromophenyl)-3-oxobutyl]malonic acid diethyl ester
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