2-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid

Systemtic Name: 2-[(9,10-dimethoxy-4-oxidanylidene-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid Openeye Name: 2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid CAS Name: 2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid IUPAC Name: 2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]benzoic acid Traditional Name: 2-[(4-keto-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-2-yl)amino]benzoic acid Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NC4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C21H19N3O5/c1-28-17-9-12-7-8-24-16(14(12)10-18(17)29-2)11-19(23-21(24)27)22-15-6-4-3-5-13(15)20(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,25,26)(H,22,23,27)