Chem
J-GLOBAL ID：200907046819178623
Nikkaji number：J1.495.779K
(4aS)-1,7-Dioxo-2-methyl-1,2,4a,5,6,7,8,8aα-octahydroisoquinoline-4aα-carboxylic acid methyl ester
(4aS)-1,7-ジオキソ-2-メチル-1,2,4a,5,6,7,8,8aα-オクタヒドロイソキノリン-4aα-カルボン酸メチル
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
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
Molecular formula： C12H15NO4
Molecular formula furigana： C12-H15-N-O4
Molecular weight： 237.255
InChI：
InChI=1S/C12H15NO4/c1-13-6-5-12(11(16)17-2)4-3-8(14)7-9(12)10(13)15/h5-6,9H,3-4,7H2,1-2H3/t9-,12-/m0/s1
InChI key：
DXJPZJBZHXQZTI-CABZTGNLSA-N
SMILES：
COC(=O)[C@]12CCC(=O)C[C@H]1C(=O)N(C)C=C2
Systematic name (3)：
- (4aS)-1,7-ジオキソ-2-メチル-1,2,4a,5,6,7,8,8aα-オクタヒドロイソキノリン-4aα-カルボン酸メチル
- メチル (4aS,8aR)-2-メチル-1,7-ジオキソ-1,2,4a,5,6,7,8,8a-オクタヒドロイソキノリン-4a-カルボキシラート
- methyl (4aS,8aR)-2-methyl-1,7-dioxo-1,2,4a,5,6,7,8,8a-octahydroisoquinoline-4a-carboxylate
- (4aS)-1,7-Dioxo-2-methyl-1,2,4a,5,6,7,8,8aα-octahydroisoquinoline-4aα-carboxylic acid methyl ester
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