4-[3-azanyl-3-oxidanylidene-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propyl]benzoic acid

Systemtic Name: 4-[3-azanyl-3-oxidanylidene-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propyl]benzoic acid Openeye Name: 4-[3-amino-3-oxo-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propyl]benzoic acid CAS Name: 4-[3-amino-3-oxo-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propyl]benzoic acid IUPAC Name: 4-[3-amino-3-oxo-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propyl]benzoic acid Traditional Name: 4-[3-amino-3-keto-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propyl]benzoic acid Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)C(=O)O

InChI

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