2-[3-(4-pyrimidin-5-ylphenyl)propanoylamino]benzoic acid

Systemtic Name: 2-[3-(4-pyrimidin-5-ylphenyl)propanoylamino]benzoic acid Openeye Name: 2-[3-(4-pyrimidin-5-ylphenyl)propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-[4-(5-pyrimidinyl)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-[3-(4-pyrimidin-5-ylphenyl)propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(5-pyrimidyl)phenyl]propanoylamino]benzoic acid Formula: C20H17N3O3 MolecularWeight: 347.36728

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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=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c24-19(23-18-4-2-1-3-17(18)20(25)26)10-7-14-5-8-15(9-6-14)16-11-21-13-22-12-16/h1-6,8-9,11-13H,7,10H2,(H,23,24)(H,25,26)