Chem
J-GLOBAL ID:200907021556092840
Nikkaji number:J2.157.987D
(3S,4S)-4-(Benzyloxy)-3-(1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline-2-yl)-1-piperidinecarboxylic acid methyl ester
(3S,4S)-4-(ベンジルオキシ)-3-(1,2,3,4-テトラヒドロ-6,7-ジメトキシイソキノリン-2-イル)-1-ピペリジンカルボン酸メチル
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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:
C25 H32 N2 O5
Molecular formula furigana:
C25-H32-N2-O5
Molecular weight:
440.540
InChI:
InChI=1S/C25H32N2O5/c1-29-23-13-19-9-11-26(15-20(19)14-24(23)30-2)21-16-27(25(28)31-3)12-10-22(21)32-17-18-7-5-4-6-8-18/h4-8,13-14,21-22H,9-12,15-17H2,1-3H3/t21-,22-/m0/s1
InChI key:
ZUXJFAQLWVVCDG-VXKWHMMOSA-N
SMILES:
COC(=O)N1CC[C@H](OCc2ccccc2)[C@H](C1)N1CCc2cc(OC)c(OC)cc2C1
Systematic name (3):
(3S,4S)-4-(ベンジルオキシ)-3-(1,2,3,4-テトラヒドロ-6,7-ジメトキシイソキノリン-2-イル)-1-ピペリジンカルボン酸メチル
メチル (3S,4S)-4-(ベンジルオキシ)-3-(6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-イル)ピペリジン-1-カルボキシラート
methyl (3S,4S)-4-(benzyloxy)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)piperidine-1-carboxylate
Other name (1):
(3S,4S)-4-(Benzyloxy)-3-(1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline-2-yl)-1-piperidinecarboxylic acid methyl ester
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