methyl 2-(4-aminophenyl)-4-bromanyl-5-(3,4-dimethoxyphenyl)-7-(furan-2-ylmethoxy)-6-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-4-bromanyl-5-(3,4-dimethoxyphenyl)-7-(furan-2-ylmethoxy)-6-methoxy-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-bromo-5-(3,4-dimethoxyphenyl)-7-(2-furylmethoxy)-6-methoxy-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-bromo-5-(3,4-dimethoxyphenyl)-7-(2-furanylmethoxy)-6-methoxy-1-oxo-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-bromo-5-(3,4-dimethoxyphenyl)-7-(furan-2-ylmethoxy)-6-methoxy-1-oxoisoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-bromo-5-(3,4-dimethoxyphenyl)-7-(2-furfuryloxy)-1-keto-6-methoxy-isoquinoline-3-carboxylic acid methyl ester Formula: C31H27BrN2O8 MolecularWeight: 635.45868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C(=CC(=C2OC)OCC4=CC=CO4)C(=O)N(C(=C3Br)C(=O)OC)C5=CC=C(C=C5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C(=CC(=C2OC)OCC4=CC=CO4)C(=O)N(C(=C3Br)C(=O)OC)C5=CC=C(C=C5)N)OC

InChI

InChI=1S/C31H27BrN2O8/c1-37-22-12-7-17(14-23(22)38-2)25-26-21(15-24(29(25)39-3)42-16-20-6-5-13-41-20)30(35)34(19-10-8-18(33)9-11-19)28(27(26)32)31(36)40-4/h5-15H,16,33H2,1-4H3