Chem
J-GLOBAL ID：200907070579827295   Nikkaji number：J1.891.216C

(3aR)-1-(4-Methoxyphenyl)-2,3-dioxo-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-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
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： C17H17NO5
Molecular formula furigana： C17-H17-N-O5
Molecular weight： 315.325
InChI： InChI=1S/C17H17NO5/c1-22-12-8-6-11(7-9-12)18-13-5-3-4-10-17(13,16(21)23-2)14(19)15(18)20/h3-4,6-9,13H,5,10H2,1-2H3/t13-,17-/m1/s1
InChI key： RJDDGLCXVZXNFB-CXAGYDPISA-N
SMILES： COC(=O)[C@]12CC=CC[C@H]1N(C(=O)C2=O)c1ccc(OC)cc1
Systematic name  (3)：
  • (3aR)-1-(4-メトキシフェニル)-2,3-ジオキソ-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)-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)-2,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-indole-3a-carboxylate
Other name (1)：
  • (3aR)-1-(4-Methoxyphenyl)-2,3-dioxo-2,3,3a,4,7,7aα-hexahydro-1H-indole-3aα-carboxylic acid methyl ester
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