4-(isoquinolin-4-ylmethylamino)benzoic acid

Systemtic Name: 4-(isoquinolin-4-ylmethylamino)benzoic acid Openeye Name: 4-(4-isoquinolylmethylamino)benzoic acid CAS Name: 4-(4-isoquinolinylmethylamino)benzoic acid IUPAC Name: 4-(isoquinolin-4-ylmethylamino)benzoic acid Traditional Name: 4-(4-isoquinolylmethylamino)benzoic acid Formula: C17H14N2O2 MolecularWeight: 278.30526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2CNC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2CNC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O2/c20-17(21)12-5-7-15(8-6-12)19-11-14-10-18-9-13-3-1-2-4-16(13)14/h1-10,19H,11H2,(H,20,21)