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

Systemtic Name: ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate CAS Name: 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(phenethylamino)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-2-(phenethylamino)benzimidazole-5-carboxylate Traditional Name: 3-[(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(N2CC3=C(C=CC(=N3)C)O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=CC(=N3)C)O)NCCC4=CC=CC=C4

InChI

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