Chem
J-GLOBAL ID：200907013688675647
Nikkaji number：J724.287E
1-Phenyl-2,3-dioxo-3aα-benzoyl-1,2,3,3a,4,7-hexahydro-7aH-indole-7aα-carboxylic acid ethyl ester
1-フェニル-2,3-ジオキソ-3aα-ベンゾイル-1,2,3,3a,4,7-ヘキサヒドロ-7aH-インドール-7aα-カルボン酸エチル
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
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
Molecular formula： C24H21NO5
Molecular formula furigana： C24-H21-N-O5
Molecular weight： 403.434
InChI：
InChI=1S/C24H21NO5/c1-2-30-22(29)24-16-10-9-15-23(24,19(26)17-11-5-3-6-12-17)20(27)21(28)25(24)18-13-7-4-8-14-18/h3-14H,2,15-16H2,1H3/t23-,24-/m0/s1
InChI key：
MRQGOVQQGFGVSL-ZEQRLZLVSA-N
SMILES：
CCOC(=O)[C@@]12CC=CC[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1
Systematic name (3)：
- 1-フェニル-2,3-ジオキソ-3aα-ベンゾイル-1,2,3,3a,4,7-ヘキサヒドロ-7aH-インドール-7aα-カルボン酸エチル
- エチル (3aS,7aR)-3a-ベンゾイル-2,3-ジオキソ-1-フェニル-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インドール-7a-カルボキシラート
- ethyl (3aS,7aR)-3a-benzoyl-2,3-dioxo-1-phenyl-2,3,3a,4,7,7a-hexahydro-1H-indole-7a-carboxylate
- 1-Phenyl-2,3-dioxo-3aα-benzoyl-1,2,3,3a,4,7-hexahydro-7aH-indole-7aα-carboxylic acid ethyl ester
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