methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-(quinolin-2-ylmethoxy)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-4-(4-bromanyl-3,5-dimethoxy-phenyl)-1-oxidanylidene-7-(quinolin-2-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-oxo-7-(2-quinolylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(2-quinolinylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxyphenyl)-1-oxo-7-(quinolin-2-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-4-(4-bromo-3,5-dimethoxy-phenyl)-1-keto-7-(2-quinolylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C35H28BrN3O6 MolecularWeight: 666.51732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)C6=CC=C(C=C6)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)C6=CC=C(C=C6)N)C(=O)OC

InChI

InChI=1S/C35H28BrN3O6/c1-42-29-16-21(17-30(43-2)32(29)36)31-26-15-14-25(45-19-23-11-8-20-6-4-5-7-28(20)38-23)18-27(26)34(40)39(33(31)35(41)44-3)24-12-9-22(37)10-13-24/h4-18H,19,37H2,1-3H3