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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)benzoic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]benzoic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3/c19-16(13-5-7-14(8-6-13)17(20)21)18-10-9-12-3-1-2-4-15(12)11-18/h1-8H,9-11H2,(H,20,21)