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

Systemtic Name: [1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-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-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H22N4O3 MolecularWeight: 414.45648

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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=CN=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=CN=CC=C4)C

InChI

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