[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C23H20N4O3 MolecularWeight: 400.4299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C23H20N4O3/c1-15-4-6-16(7-5-15)12-25-21(28)14-30-23(29)17-8-9-19-20(11-17)27-22(26-19)18-3-2-10-24-13-18/h2-11,13H,12,14H2,1H3,(H,25,28)(H,26,27)