4-[3-azanyl-3-oxidanylidene-2-[(2-pyridin-4-yl-1H-benzimidazol-4-yl)carbonylamino]propyl]benzoic acid

Systemtic Name: 4-[3-azanyl-3-oxidanylidene-2-[(2-pyridin-4-yl-1H-benzimidazol-4-yl)carbonylamino]propyl]benzoic acid Openeye Name: 4-[3-amino-3-oxo-2-[[2-(4-pyridyl)-1H-benzimidazole-4-carbonyl]amino]propyl]benzoic acid CAS Name: 4-[3-amino-3-oxo-2-[[oxo-(2-pyridin-4-yl-1H-benzimidazol-4-yl)methyl]amino]propyl]benzoic acid IUPAC Name: 4-[3-amino-3-oxo-2-[(2-pyridin-4-yl-1H-benzimidazole-4-carbonyl)amino]propyl]benzoic acid Traditional Name: 4-[3-amino-3-keto-2-[[2-(4-pyridyl)-1H-benzimidazole-4-carbonyl]amino]propyl]benzoic acid Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC(CC4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC(CC4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C23H19N5O4/c24-20(29)18(12-13-4-6-15(7-5-13)23(31)32)27-22(30)16-2-1-3-17-19(16)28-21(26-17)14-8-10-25-11-9-14/h1-11,18H,12H2,(H2,24,29)(H,26,28)(H,27,30)(H,31,32)