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

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzoic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-22-16-9-13-7-8-19(11-14(13)10-17(16)23-2)15-5-3-12(4-6-15)18(20)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,21)