Chem
J-GLOBAL ID：200907092158172749
Nikkaji number：J1.891.217A
(3aR)-1-(4-Methoxyphenyl)-2,3-dioxo-5,6-dimethyl-2,3,3a,4,7,7aα-hexahydro-1H-indole-3aα-carboxylic acid methyl ester
(3aR)-1-(4-メトキシフェニル)-2,3-ジオキソ-5,6-ジメチル-2,3,3a,4,7,7aα-ヘキサヒドロ-1H-インドール-3aα-カルボン酸メチル
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： C19H21NO5
Molecular formula furigana： C19-H21-N-O5
Molecular weight： 343.379
InChI：
InChI=1S/C19H21NO5/c1-11-9-15-19(10-12(11)2,18(23)25-4)16(21)17(22)20(15)13-5-7-14(24-3)8-6-13/h5-8,15H,9-10H2,1-4H3/t15-,19-/m1/s1
InChI key：
OYBXCASDPVBZMR-DNVCBOLYSA-N
SMILES：
COC(=O)[C@]12CC(=C(C)C[C@H]1N(C(=O)C2=O)c1ccc(OC)cc1)C
Systematic name (3)：
- (3aR)-1-(4-メトキシフェニル)-2,3-ジオキソ-5,6-ジメチル-2,3,3a,4,7,7aα-ヘキサヒドロ-1H-インドール-3aα-カルボン酸メチル
- メチル (3aR,7aR)-1-(4-メトキシフェニル)-5,6-ジメチル-2,3-ジオキソ-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インドール-3a-カルボキシラート
- methyl (3aR,7aR)-1-(4-methoxyphenyl)-5,6-dimethyl-2,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-indole-3a-carboxylate
- (3aR)-1-(4-Methoxyphenyl)-2,3-dioxo-5,6-dimethyl-2,3,3a,4,7,7aα-hexahydro-1H-indole-3aα-carboxylic acid methyl ester
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