4-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)benzoic acid

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)benzoic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)benzoic acid CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)benzoic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)benzoic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)benzoic acid Formula: C17H17NO3 MolecularWeight: 283.32178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)COC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17NO3/c19-17(20)14-5-7-16(8-6-14)21-12-18-10-9-13-3-1-2-4-15(13)11-18/h1-8H,9-12H2,(H,19,20)