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

Systemtic Name: 4-[(6,7-dimethoxy-1-methyl-3-oxidanylidene-2H-isoquinolin-4-yl)carbamoylamino]benzoic acid Openeye Name: 4-[(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)carbamoylamino]benzoic acid CAS Name: 4-[[[(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)carbamoylamino]benzoic acid Traditional Name: 4-[(3-keto-6,7-dimethoxy-1-methyl-2H-isoquinolin-4-yl)carbamoylamino]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)NC(=O)NC3=CC=C(C=C3)C(=O)O)OC)OC

Isomeric SMILES

CC1=C2C=C(C(=CC2=C(C(=O)N1)NC(=O)NC3=CC=C(C=C3)C(=O)O)OC)OC

InChI

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