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

Systemtic Name: methyl 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(2-morpholin-4-ylethyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2-(2-morpholinoethyl)-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-[2-(4-morpholinyl)ethyl]-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4,5-dimethoxyphenyl)-6,7-dimethoxy-2-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-1-keto-6,7-dimethoxy-2-(2-morpholinoethyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H31BrN2O8 MolecularWeight: 591.44764

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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)CCN4CCOCC4)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCN4CCOCC4)C(=O)OC)Br)OC

InChI

InChI=1S/C27H31BrN2O8/c1-33-20-14-17-18(15-21(20)34-2)26(31)30(7-6-29-8-10-38-11-9-29)24(27(32)37-5)23(17)16-12-19(28)25(36-4)22(13-16)35-3/h12-15H,6-11H2,1-5H3