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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=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=C(C=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(13-16(15)2)26-24(29)17(3)31-25(30)19-10-12-21-22(14-19)28-23(27-21)18-7-5-4-6-8-18/h4-14,17H,1-3H3,(H,26,29)(H,27,28)