Chem
J-GLOBAL ID：200907045578845350   Nikkaji number：J2.575.912E

2-[1-Phenyl-3-oxo-3-(1H-pyrrole-1-yl)propyl]malonic acid diethyl ester

2-[1-フェニル-3-オキソ-3-(1H-ピロール-1-イル)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： C20H23NO5
Molecular formula furigana： C20-H23-N-O5
Molecular weight： 357.406
InChI： InChI=1S/C20H23NO5/c1-3-25-19(23)18(20(24)26-4-2)16(15-10-6-5-7-11-15)14-17(22)21-12-8-9-13-21/h5-13,16,18H,3-4,14H2,1-2H3
InChI key： LDSRZCRITCVSHY-UHFFFAOYSA-N
SMILES： CCOC(=O)C(C(CC(=O)n1cccc1)c1ccccc1)C(=O)OCC
Systematic name  (3)：
  • 2-[1-フェニル-3-オキソ-3-(1H-ピロール-1-イル)プロピル]マロン酸ジエチル
  • 1,3-ジエチル 2-[3-オキソ-1-フェニル-3-(1H-ピロール-1-イル)プロピル]プロパンジオアート
  • 1,3-diethyl 2-[3-oxo-1-phenyl-3-(1H-pyrrol-1-yl)propyl]propanedioate
Other name (1)：
  • 2-[1-Phenyl-3-oxo-3-(1H-pyrrole-1-yl)propyl]malonic acid diethyl ester
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