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

Systemtic Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C19H20N2O5/c1-25-16-9-12-6-7-21(11-14(12)10-17(16)26-2)19(24)20-15-5-3-4-13(8-15)18(22)23/h3-5,8-10H,6-7,11H2,1-2H3,(H,20,24)(H,22,23)