3-[5-[(2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[oxo-(2-oxo-1H-pyridin-3-yl)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[(2-keto-1H-pyridine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C4=CC=CNC4=O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)C4=CC=CNC4=O

InChI

InChI=1S/C22H18N4O4/c27-20(28)12-19(14-5-2-1-3-6-14)26-13-24-17-11-15(8-9-18(17)26)25-22(30)16-7-4-10-23-21(16)29/h1-11,13,19H,12H2,(H,23,29)(H,25,30)(H,27,28)