2-[3-[4-(5-azanylpyridin-2-yl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[4-(5-azanylpyridin-2-yl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-[3-[4-(5-amino-2-pyridyl)phenyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[4-(5-amino-2-pyridinyl)phenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[4-(5-aminopyridin-2-yl)phenyl]propanoylamino]benzoic acid Traditional Name: 2-[3-[4-(5-amino-2-pyridyl)phenyl]propanoylamino]benzoic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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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=NC=C(C=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c22-16-10-11-18(23-13-16)15-8-5-14(6-9-15)7-12-20(25)24-19-4-2-1-3-17(19)21(26)27/h1-6,8-11,13H,7,12,22H2,(H,24,25)(H,26,27)