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

Systemtic Name: 2-[3-(4-pyridin-3-ylphenyl)propanoylamino]benzoic acid Openeye Name: 2-[3-[4-(3-pyridyl)phenyl]propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-[4-(3-pyridinyl)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-[3-(4-pyridin-3-ylphenyl)propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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