4-[aminocarbonyl-(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)amino]benzoic acid

Systemtic Name: 4-[aminocarbonyl-(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)amino]benzoic acid Openeye Name: 4-[carbamoyl-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)amino]benzoic acid CAS Name: 4-[carbamoyl-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)amino]benzoic acid IUPAC Name: 4-[carbamoyl-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)amino]benzoic acid Traditional Name: 4-[carbamoyl-(3-keto-6,7-dimethoxy-1-methyl-2H-isoquinolin-4-yl)amino]benzoic acid Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=CC2=C(C(=O)N1)N(C3=CC=C(C=C3)C(=O)O)C(=O)N)OC)OC

Isomeric SMILES

CC1=C2C=C(C(=CC2=C(C(=O)N1)N(C3=CC=C(C=C3)C(=O)O)C(=O)N)OC)OC

InChI

InChI=1S/C20H19N3O6/c1-10-13-8-15(28-2)16(29-3)9-14(13)17(18(24)22-10)23(20(21)27)12-6-4-11(5-7-12)19(25)26/h4-9H,1-3H3,(H2,21,27)(H,22,24)(H,25,26)