Chem
J-GLOBAL ID：200907066523764510   Nikkaji number：J1.495.778B

(4aS)-1-Oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroisoquinoline-4aα-carboxylic acid methyl ester

(4aS)-1-オキソ-6,7-ジメチル-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： C13H17NO3
Molecular formula furigana： C13-H17-N-O3
Molecular weight： 235.283
InChI： InChI=1S/C13H17NO3/c1-8-6-10-11(15)14-5-4-13(10,7-9(8)2)12(16)17-3/h4-5,10H,6-7H2,1-3H3,(H,14,15)/t10-,13+/m0/s1
InChI key： FNPXSZVTFBFPRM-GXFFZTMASA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1C(=O)NC=C2)C
Systematic name  (3)：
  • (4aS)-1-オキソ-6,7-ジメチル-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-ジメチル-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-dimethyl-1-oxo-1,2,4a,5,8,8a-hexahydroisoquinoline-4a-carboxylate
Other name (1)：
  • (4aS)-1-Oxo-6,7-dimethyl-1,2,4a,5,8,8aα-hexahydroisoquinoline-4aα-carboxylic acid methyl ester
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