Chem
J-GLOBAL ID:200907044311471284   Nikkaji number:J1.495.781B

(4aR)-1-Oxo-6,7-dimethyl-1,2,4aα,5,8,8aα-hexahydroisoquinoline-3-carboxylic acid methyl ester

(4aR)-1-オキソ-6,7-ジメチル-1,2,4aα,5,8,8aα-ヘキサヒドロイソキノリン-3-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/c1-7-4-9-6-11(13(16)17-3)14-12(15)10(9)5-8(7)2/h6,9-10H,4-5H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChI key: DJGXSZLPDRVHGU-NXEZZACHSA-N
SMILES: COC(=O)C1=C[C@H]2CC(=C(C)C[C@H]2C(=O)N1)C
Systematic name  (3):
  • (4aR)-1-オキソ-6,7-ジメチル-1,2,4aα,5,8,8aα-ヘキサヒドロイソキノリン-3-カルボン酸メチル
  • メチル (4aR,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-3-カルボキシラート
  • methyl (4aR,8aR)-6,7-dimethyl-1-oxo-1,2,4a,5,8,8a-hexahydroisoquinoline-3-carboxylate
Other name (1):
  • (4aR)-1-Oxo-6,7-dimethyl-1,2,4aα,5,8,8aα-hexahydroisoquinoline-3-carboxylic acid methyl ester
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