methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(3-pyridin-3-ylcarbonyloxypropyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxidanylidene-2-(3-pyridin-3-ylcarbonyloxypropyl)isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-1-oxo-2-[3-(pyridine-3-carbonyloxy)propyl]isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-[3-[oxo(3-pyridinyl)methoxy]propyl]-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-2-[3-(pyridine-3-carbonyloxy)propyl]isoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(3-nicotinoyloxypropyl)isoquinoline-3-carboxylic acid methyl ester Formula: C30H29BrN2O9 MolecularWeight: 641.46326

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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)CCCOC(=O)C4=CN=CC=C4)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCCOC(=O)C4=CN=CC=C4)C(=O)OC)Br)OC

InChI

InChI=1S/C30H29BrN2O9/c1-37-22-14-19-20(15-23(22)38-2)28(34)33(10-7-11-42-29(35)17-8-6-9-32-16-17)26(30(36)41-5)25(19)18-12-21(31)27(40-4)24(13-18)39-3/h6,8-9,12-16H,7,10-11H2,1-5H3