[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3)C

InChI

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