3-isoquinolin-4-ylbenzoic acid

Systemtic Name: 3-isoquinolin-4-ylbenzoic acid Openeye Name: 3-(4-isoquinolyl)benzoic acid CAS Name: 3-(4-isoquinolinyl)benzoic acid IUPAC Name: 3-isoquinolin-4-ylbenzoic acid Traditional Name: 3-(4-isoquinolyl)benzoic acid Formula: C16H11NO2 MolecularWeight: 249.26404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C16H11NO2/c18-16(19)12-6-3-5-11(8-12)15-10-17-9-13-4-1-2-7-14(13)15/h1-10H,(H,18,19)