2-(3,4-dihydroisoquinolin-1-yl)-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-(3,4-dihydroisoquinolin-1-yl)-4,5-dimethoxy-benzoic acid Openeye Name: 2-(3,4-dihydroisoquinolin-1-yl)-4,5-dimethoxy-benzoic acid CAS Name: 2-(3,4-dihydroisoquinolin-1-yl)-4,5-dimethoxybenzoic acid IUPAC Name: 2-(3,4-dihydroisoquinolin-1-yl)-4,5-dimethoxybenzoic acid Traditional Name: 2-(3,4-dihydroisoquinolin-1-yl)-4,5-dimethoxy-benzoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=NCCC3=CC=CC=C32)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=NCCC3=CC=CC=C32)C(=O)O)OC

InChI

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