methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-[1-(phenylmethyl)piperidin-4-yl]isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-[1-(phenylmethyl)piperidin-4-yl]isoquinoline-3-carboxylate Openeye Name: methyl 2-(1-benzyl-4-piperidyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-[1-(phenylmethyl)-4-piperidinyl]-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-benzylpiperidin-4-yl)-4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(1-benzyl-4-piperidyl)-4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C33H35BrN2O7 MolecularWeight: 651.5442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4CCN(CC4)CC5=CC=CC=C5)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)C4CCN(CC4)CC5=CC=CC=C5)C(=O)OC)Br)OC

InChI

InChI=1S/C33H35BrN2O7/c1-39-26-17-23-24(18-27(26)40-2)32(37)36(22-11-13-35(14-12-22)19-20-9-7-6-8-10-20)30(33(38)43-5)29(23)21-15-25(34)31(42-4)28(16-21)41-3/h6-10,15-18,22H,11-14,19H2,1-5H3