[1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(4-iodoanilino)-1-methyl-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(4-iodoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-(4-iodoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H20IN3O3 MolecularWeight: 525.33837

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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=C(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C24H20IN3O3/c1-14-3-5-16(6-4-14)22-27-20-12-7-17(13-21(20)28-22)24(30)31-15(2)23(29)26-19-10-8-18(25)9-11-19/h3-13,15H,1-2H3,(H,26,29)(H,27,28)