Chem
J-GLOBAL ID:200907008373608670   Nikkaji number:J1.381.292F

1-Oxo-6,7-dimethoxy-1,2,4a,5,8,8aα-hexahydroisoquinoline-4aα-carboxylic acid methyl ester

1-オキソ-6,7-ジメトキシ-1,2,4a,5,8,8aα-ヘキサヒドロイソキノリン-4aα-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: C13H17NO5
Molecular formula furigana: C13-H17-N-O5
Molecular weight: 267.281
InChI: InChI=1S/C13H17NO5/c1-17-9-6-8-11(15)14-5-4-13(8,12(16)19-3)7-10(9)18-2/h4-5,8H,6-7H2,1-3H3,(H,14,15)/t8-,13+/m0/s1
InChI key: AJGWURDFZNXPOX-ISVAXAHUSA-N
SMILES: COC(=O)[C@]12CC(=C(C[C@H]1C(=O)NC=C2)OC)OC
Systematic name  (4):
  • 1-オキソ-6,7-ジメトキシ-1,2,4a,5,8,8aα-ヘキサヒドロイソキノリン-4aα-カルボン酸メチル
  • (4aS)-1-オキソ-6,7-ジメトキシ-1,2,4a,5,8,8aα-ヘキサヒドロイソキノリン-4aα-カルボン酸メチル
  • メチル (4aS,8aR)-6,7-ジメトキシ-1-オキソ-1,2,4a,5,8,8a-ヘキサヒドロイソキノリン-4a-カルボキシラート
  • methyl (4aS,8aR)-6,7-dimethoxy-1-oxo-1,2,4a,5,8,8a-hexahydroisoquinoline-4a-carboxylate
Other name (2):
  • 1-Oxo-6,7-dimethoxy-1,2,4a,5,8,8aα-hexahydroisoquinoline-4aα-carboxylic acid methyl ester
  • (4aS)-1-Oxo-6,7-dimethoxy-1,2,4a,5,8,8aα-hexahydroisoquinoline-4aα-carboxylic acid methyl ester
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