Chem
J-GLOBAL ID：200907084821232170   Nikkaji number：J487.557E

1,2,8,8aα-Tetrahydro-2,6,7-trimethyl-1-oxoisoquinoline-4aα(5H)-carboxylic acid methyl ester

1,2,8,8aα-テトラヒドロ-2,6,7-トリメチル-1-オキソイソキノリン-4aα(5H)-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： C14H19NO3
Molecular formula furigana： C14-H19-N-O3
Molecular weight： 249.310
InChI： InChI=1S/C14H19NO3/c1-9-7-11-12(16)15(3)6-5-14(11,8-10(9)2)13(17)18-4/h5-6,11H,7-8H2,1-4H3/t11-,14+/m0/s1
InChI key： MCZSWMQVRJBHRA-SMDDNHRTSA-N
SMILES： COC(=O)[C@]12CC(=C(C)C[C@H]1C(=O)N(C)C=C2)C
Systematic name  (4)：
  • 1,2,8,8aα-テトラヒドロ-2,6,7-トリメチル-1-オキソイソキノリン-4aα(5H)-カルボン酸メチル
  • (4aS)-1-オキソ-2,6,7-トリメチル-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)-2,6,7-トリメチル-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)-2,6,7-trimethyl-1-oxo-1,2,4a,5,8,8a-hexahydroisoquinoline-4a-carboxylate
Other name (2)：
  • 1,2,8,8aα-Tetrahydro-2,6,7-trimethyl-1-oxoisoquinoline-4aα(5H)-carboxylic acid methyl ester
  • (4aS)-1-Oxo-2,6,7-trimethyl-1,2,4a,5,8,8aα-hexahydroisoquinoline-4aα-carboxylic acid methyl ester
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