2-[3-(4-pyridin-4-ylphenyl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(4-pyridin-4-ylphenyl)propanoylamino]benzoic acid Openeye Name: 2-[3-[4-(4-pyridyl)phenyl]propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-(4-pyridin-4-ylphenyl)propyl]amino]benzoic acid IUPAC Name: 2-[3-(4-pyridin-4-ylphenyl)propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(4-pyridyl)phenyl]propanoylamino]benzoic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H18N2O3/c24-20(23-19-4-2-1-3-18(19)21(25)26)10-7-15-5-8-16(9-6-15)17-11-13-22-14-12-17/h1-6,8-9,11-14H,7,10H2,(H,23,24)(H,25,26)