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

Systemtic Name: methyl 4-(4-bromanyl-3,5-dimethoxy-phenyl)-6,7-dimethoxy-2-morpholin-4-yl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(4-bromo-3,5-dimethoxy-phenyl)-6,7-dimethoxy-2-morpholino-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-bromo-3,5-dimethoxyphenyl)-6,7-dimethoxy-2-(4-morpholinyl)-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromo-3,5-dimethoxyphenyl)-6,7-dimethoxy-2-morpholin-4-yl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-morpholino-isoquinoline-3-carboxylic acid methyl ester Formula: C25H27BrN2O8 MolecularWeight: 563.39448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCOCC4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C25H27BrN2O8/c1-31-17-12-15-16(13-18(17)32-2)24(29)28(27-6-8-36-9-7-27)23(25(30)35-5)21(15)14-10-19(33-3)22(26)20(11-14)34-4/h10-13H,6-9H2,1-5H3