3-[2-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]carbonyloxy]butanoylamino]benzoic acid

Systemtic Name: 3-[2-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]carbonyloxy]butanoylamino]benzoic acid Openeye Name: 3-[2-[2-(p-tolyl)-3H-benzimidazole-5-carbonyl]oxybutanoylamino]benzoic acid CAS Name: 3-[[2-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[2-(4-methylphenyl)-3H-benzimidazole-5-carbonyl]oxybutanoylamino]benzoic acid Traditional Name: 3-[2-[2-(p-tolyl)-3H-benzimidazole-5-carbonyl]oxybutanoylamino]benzoic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O5/c1-3-22(24(30)27-19-6-4-5-17(13-19)25(31)32)34-26(33)18-11-12-20-21(14-18)29-23(28-20)16-9-7-15(2)8-10-16/h4-14,22H,3H2,1-2H3,(H,27,30)(H,28,29)(H,31,32)