4-chloranyl-3-[2-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbonyloxy]propanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[(2-pyridin-3-yl-3H-benzimidazol-5-yl)carbonyloxy]propanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[2-(3-pyridyl)-3H-benzimidazole-5-carbonyl]oxypropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[oxo-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]methoxy]propyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(2-pyridin-3-yl-3H-benzimidazole-5-carbonyl)oxypropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[2-(3-pyridyl)-3H-benzimidazole-5-carbonyl]oxypropanoylamino]benzoic acid Formula: C23H17ClN4O5 MolecularWeight: 464.85788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C23H17ClN4O5/c1-12(21(29)28-18-9-13(22(30)31)4-6-16(18)24)33-23(32)14-5-7-17-19(10-14)27-20(26-17)15-3-2-8-25-11-15/h2-12H,1H3,(H,26,27)(H,28,29)(H,30,31)