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

Systemtic Name: ethyl 2-(butylamino)-3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-(butylamino)-3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazole-5-carboxylate CAS Name: 2-(butylamino)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(butylamino)-3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-(butylamino)-3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=C(C=CC(=N3)C)O)C=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=C(C=CC(=N3)C)O)C=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H26N4O3/c1-4-6-11-22-21-24-16-9-8-15(20(27)28-5-2)12-18(16)25(21)13-17-19(26)10-7-14(3)23-17/h7-10,12,26H,4-6,11,13H2,1-3H3,(H,22,24)