ethyl 1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate Openeye Name: ethyl 1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate CAS Name: 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(phenethylamino)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate Traditional Name: 1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylic acid ethyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)NCCC3=CC=CC=C3)CC4=C(C=CC(=N4)C)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)NCCC3=CC=CC=C3)CC4=C(C=CC(=N4)C)O

InChI

InChI=1S/C25H26N4O3/c1-3-32-24(31)19-10-11-22-20(15-19)28-25(26-14-13-18-7-5-4-6-8-18)29(22)16-21-23(30)12-9-17(2)27-21/h4-12,15,30H,3,13-14,16H2,1-2H3,(H,26,28)