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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-2-[3-(dimethylamino)propyl]-1-keto-6,7-dimethoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C26H31BrN2O7 MolecularWeight: 563.43754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC

Isomeric SMILES

CN(C)CCCN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C(=C3)Br)OC)OC)C(=O)OC

InChI

InChI=1S/C26H31BrN2O7/c1-28(2)9-8-10-29-23(26(31)36-7)22(15-11-18(27)24(35-6)21(12-15)34-5)16-13-19(32-3)20(33-4)14-17(16)25(29)30/h11-14H,8-10H2,1-7H3