Chem
J-GLOBAL ID：201607015346565953   Nikkaji number：J3.462.339B

6-Oxo-3aα-(3,4-dimethoxyphenyl)-2,3,3a,4,5,6-hexahydro-1H-indole-1-carboxylic acid tert-butyl ester

6-オキソ-3aα-(3,4-ジメトキシフェニル)-2,3,3a,4,5,6-ヘキサヒドロ-1H-インドール-1-カルボン酸tert-ブチル
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： C21H27NO5
Molecular formula furigana： C21-H27-N-O5
Molecular weight： 373.449
InChI： InChI=1S/C21H27NO5/c1-20(2,3)27-19(24)22-11-10-21(9-8-15(23)13-18(21)22)14-6-7-16(25-4)17(12-14)26-5/h6-7,12-13H,8-11H2,1-5H3/t21-/m1/s1
InChI key： RUMMCXGCLQNSQW-OAQYLSRUSA-N
SMILES： COc1ccc(cc1OC)[C@@]12CCN(C(=O)OC(C)(C)C)C1=CC(=O)CC2
Systematic name  (3)：
  • 6-オキソ-3aα-(3,4-ジメトキシフェニル)-2,3,3a,4,5,6-ヘキサヒドロ-1H-インドール-1-カルボン酸tert-ブチル
  • tert-ブチル (3aR)-3a-(3,4-ジメトキシフェニル)-6-オキソ-2,3,3a,4,5,6-ヘキサヒドロ-1H-インドール-1-カルボキシラート
  • tert-butyl (3aR)-3a-(3,4-dimethoxyphenyl)-6-oxo-2,3,3a,4,5,6-hexahydro-1H-indole-1-carboxylate
Other name (1)：
  • 6-Oxo-3aα-(3,4-dimethoxyphenyl)-2,3,3a,4,5,6-hexahydro-1H-indole-1-carboxylic acid tert-butyl ester
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