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
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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:
C13 H17 NO3
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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