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

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(p-tolyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylic acid [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(p-tolyl)-3H-benzimidazole-5-carboxylic acid [2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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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=C(C(=CC=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3/c1-14-7-9-17(10-8-14)23-27-21-12-11-18(13-22(21)28-23)25(31)32-16(3)24(30)29-20-6-4-5-19(26)15(20)2/h4-13,16H,1-3H3,(H,27,28)(H,29,30)