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

Systemtic Name: [1-[(4-methylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [1-methyl-2-[(4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylpyridin-2-yl)amino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-keto-1-methyl-2-[(4-methyl-2-pyridyl)amino]ethyl] ester Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C17H16N4O3/c1-10-5-6-18-15(7-10)21-16(22)11(2)24-17(23)12-3-4-13-14(8-12)20-9-19-13/h3-9,11H,1-2H3,(H,19,20)(H,18,21,22)