[1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O3/c1-15-9-11-20(16(2)13-15)28-24(29)17(3)31-25(30)19-10-12-21-22(14-19)27-23(26-21)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,26,27)(H,28,29)