3-(2-isoquinolin-4-ylethyl)benzoic acid

Systemtic Name: 3-(2-isoquinolin-4-ylethyl)benzoic acid Openeye Name: 3-[2-(4-isoquinolyl)ethyl]benzoic acid CAS Name: 3-[2-(4-isoquinolinyl)ethyl]benzoic acid IUPAC Name: 3-(2-isoquinolin-4-ylethyl)benzoic acid Traditional Name: 3-[2-(4-isoquinolyl)ethyl]benzoic acid Formula: C18H15NO2 MolecularWeight: 277.3172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H15NO2/c20-18(21)14-6-3-4-13(10-14)8-9-16-12-19-11-15-5-1-2-7-17(15)16/h1-7,10-12H,8-9H2,(H,20,21)