2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzoic acid

Systemtic Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzoic acid Openeye Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]benzoic acid IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid Traditional Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid Formula: C19H19NO5 MolecularWeight: 341.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C19H19NO5/c1-24-16-9-12-7-8-20(11-13(12)10-17(16)25-2)18(21)14-5-3-4-6-15(14)19(22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)