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

Systemtic Name: [1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(3,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dimethylanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O3/c1-14-9-15(2)11-19(10-14)26-23(29)16(3)31-24(30)17-6-7-20-21(12-17)28-22(27-20)18-5-4-8-25-13-18/h4-13,16H,1-3H3,(H,26,29)(H,27,28)