2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzoic acid

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzoic acid Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzoic acid CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzoic acid IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzoic acid Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)benzoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3C(=O)O)OC

InChI

InChI=1S/C18H17NO4/c1-22-15-9-11-7-8-19-17(14(11)10-16(15)23-2)12-5-3-4-6-13(12)18(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)