4-(pyridin-3-ylmethylcarbamoyl)benzoic acid

Systemtic Name: 4-(pyridin-3-ylmethylcarbamoyl)benzoic acid Openeye Name: 4-(3-pyridylmethylcarbamoyl)benzoic acid CAS Name: 4-[oxo-(3-pyridinylmethylamino)methyl]benzoic acid IUPAC Name: 4-(pyridin-3-ylmethylcarbamoyl)benzoic acid Traditional Name: 4-(3-pyridylmethylcarbamoyl)benzoic acid Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H12N2O3/c17-13(16-9-10-2-1-7-15-8-10)11-3-5-12(6-4-11)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19)