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

Systemtic Name: 3-[2-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]carbonyloxy]propanoylamino]benzoic acid Openeye Name: 3-[2-[2-(p-tolyl)-3H-benzimidazole-5-carbonyl]oxypropanoylamino]benzoic acid CAS Name: 3-[[2-[[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[2-(4-methylphenyl)-3H-benzimidazole-5-carbonyl]oxypropanoylamino]benzoic acid Traditional Name: 3-[2-[2-(p-tolyl)-3H-benzimidazole-5-carbonyl]oxypropanoylamino]benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OC(C)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H21N3O5/c1-14-6-8-16(9-7-14)22-27-20-11-10-18(13-21(20)28-22)25(32)33-15(2)23(29)26-19-5-3-4-17(12-19)24(30)31/h3-13,15H,1-2H3,(H,26,29)(H,27,28)(H,30,31)