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

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-14-6-3-4-8-18(14)27-22(28)15(2)30-23(29)16-9-10-19-20(12-16)26-21(25-19)17-7-5-11-24-13-17/h3-13,15H,1-2H3,(H,25,26)(H,27,28)