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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoic acid CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoic acid Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H17NO2/c19-17(20)15-7-5-13(6-8-15)11-18-10-9-14-3-1-2-4-16(14)12-18/h1-8H,9-12H2,(H,19,20)