2-(1-azanylethyl)-5-(pyridin-4-ylcarbamoyl)benzoic acid

Systemtic Name: 2-(1-azanylethyl)-5-(pyridin-4-ylcarbamoyl)benzoic acid Openeye Name: 2-(1-aminoethyl)-5-(4-pyridylcarbamoyl)benzoic acid CAS Name: 2-(1-aminoethyl)-5-[oxo-(pyridin-4-ylamino)methyl]benzoic acid IUPAC Name: 2-(1-aminoethyl)-5-(pyridin-4-ylcarbamoyl)benzoic acid Traditional Name: 2-(1-aminoethyl)-5-(4-pyridylcarbamoyl)benzoic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)C(=O)O)N

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)NC2=CC=NC=C2)C(=O)O)N

InChI

InChI=1S/C15H15N3O3/c1-9(16)12-3-2-10(8-13(12)15(20)21)14(19)18-11-4-6-17-7-5-11/h2-9H,16H2,1H3,(H,20,21)(H,17,18,19)