Chem
J-GLOBAL ID:200907024922523360
Nikkaji number:J1.459.284I
1-(3,4-Dimethoxybenzyl)-2-(methylsulfonyl)-7-methoxy-7-acetoxy-1,2,3,4-tetrahydroisoquinoline-6(7H)-one
1-(3,4-ジメトキシベンジル)-2-(メチルスルホニル)-7-メトキシ-7-アセトキシ-1,2,3,4-テトラヒドロイソキノリン-6(7H)-オン
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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:
C22 H27 NO8 S
Molecular formula furigana:
C22-H27-N-O8-S
Molecular weight:
465.520
InChI:
InChI=1S/C22H27NO8S/c1-14(24)31-22(30-4)13-17-16(12-21(22)25)8-9-23(32(5,26)27)18(17)10-15-6-7-19(28-2)20(11-15)29-3/h6-7,11-13,18H,8-10H2,1-5H3
InChI key:
SJQILVKZMCXMKZ-UHFFFAOYSA-N
SMILES:
COc1ccc(CC2N(CCC3=CC(=O)C(OC)(OC(=O)C)C=C23)S(=O)(=O)C)cc1OC
Systematic name (3):
1-(3,4-ジメトキシベンジル)-2-(メチルスルホニル)-7-メトキシ-7-アセトキシ-1,2,3,4-テトラヒドロイソキノリン-6(7H)-オン
1-[(3,4-ジメトキシフェニル)メチル]-2-メタンスルホニル-7-メトキシ-6-オキソ-1,2,3,4,6,7-ヘキサヒドロイソキノリン-7-イル アセタート
1-[(3,4-dimethoxyphenyl)methyl]-2-methanesulfonyl-7-methoxy-6-oxo-1,2,3,4,6,7-hexahydroisoquinolin-7-yl acetate
Other name (1):
1-(3,4-Dimethoxybenzyl)-2-(methylsulfonyl)-7-methoxy-7-acetoxy-1,2,3,4-tetrahydroisoquinoline-6(7H)-one
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