4-(pyridin-4-ylmethylamino)benzoic acid

Systemtic Name: 4-(pyridin-4-ylmethylamino)benzoic acid Openeye Name: 4-(4-pyridylmethylamino)benzoic acid CAS Name: 4-(pyridin-4-ylmethylamino)benzoic acid IUPAC Name: 4-(pyridin-4-ylmethylamino)benzoic acid Traditional Name: 4-(4-pyridylmethylamino)benzoic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CC=NC=C2

InChI

InChI=1S/C13H12N2O2/c16-13(17)11-1-3-12(4-2-11)15-9-10-5-7-14-8-6-10/h1-8,15H,9H2,(H,16,17)