methyl 2-(4-aminophenyl)-4-(3-methoxyphenyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(4-aminophenyl)-4-(3-methoxyphenyl)-1-oxidanylidene-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-aminophenyl)-4-(3-methoxyphenyl)-1-oxo-7-(2-pyridylmethoxy)isoquinoline-3-carboxylate CAS Name: 2-(4-aminophenyl)-4-(3-methoxyphenyl)-1-oxo-7-(2-pyridinylmethoxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-aminophenyl)-4-(3-methoxyphenyl)-1-oxo-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate Traditional Name: 2-(4-aminophenyl)-1-keto-4-(3-methoxyphenyl)-7-(2-pyridylmethoxy)isoquinoline-3-carboxylic acid methyl ester Formula: C30H25N3O5 MolecularWeight: 507.5366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)OCC4=CC=CC=N4)C5=CC=C(C=C5)N)C(=O)OC

InChI

InChI=1S/C30H25N3O5/c1-36-23-8-5-6-19(16-23)27-25-14-13-24(38-18-21-7-3-4-15-32-21)17-26(25)29(34)33(28(27)30(35)37-2)22-11-9-20(31)10-12-22/h3-17H,18,31H2,1-2H3