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

Systemtic Name: methyl 2-(4-aminophenyl)-1-oxidanylidene-7-(quinolin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-1-oxo-7-(3-quinolylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-1-oxo-7-(3-quinolinylmethoxy)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-1-oxo-7-(quinolin-3-ylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-7-(3-quinolylmethoxy)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C36H31N3O7 MolecularWeight: 617.64724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC5=CC=CC=C5N=C4)C6=CC=C(C=C6)N)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC5=CC=CC=C5N=C4)C6=CC=C(C=C6)N)C(=O)OC

InChI

InChI=1S/C36H31N3O7/c1-42-30-16-23(17-31(43-2)34(30)44-3)32-27-14-13-26(46-20-21-15-22-7-5-6-8-29(22)38-19-21)18-28(27)35(40)39(33(32)36(41)45-4)25-11-9-24(37)10-12-25/h5-19H,20,37H2,1-4H3