methyl (3S,4S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylcarbonyloxy)piperidine-1-carboxylate

Systemtic Name: methyl (3S,4S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(phenylcarbonyloxy)piperidine-1-carboxylate Openeye Name: methyl (3S,4S)-4-benzoyloxy-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylate CAS Name: (3S,4S)-4-benzoyloxy-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-4-benzoyloxy-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylate Traditional Name: (3S,4S)-4-benzoyloxy-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carboxylic acid methyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CN(CCC3OC(=O)C4=CC=CC=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CN(CC[C@@H]3OC(=O)C4=CC=CC=C4)C(=O)OC)OC

InChI

InChI=1S/C25H30N2O6/c1-30-22-13-18-9-11-26(15-19(18)14-23(22)31-2)20-16-27(25(29)32-3)12-10-21(20)33-24(28)17-7-5-4-6-8-17/h4-8,13-14,20-21H,9-12,15-16H2,1-3H3/t20-,21-/m0/s1