ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(3-morpholinopropylamino)benzimidazole-5-carboxylate CAS Name: 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-morpholinyl)propylamino]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carboxylate Traditional Name: 3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-2-(3-morpholinopropylamino)benzimidazole-5-carboxylic acid ethyl ester Formula: C24H31N5O4 MolecularWeight: 453.53404

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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)NCCCN4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=CC(=N3)C)O)NCCCN4CCOCC4

InChI

InChI=1S/C24H31N5O4/c1-3-33-23(31)18-6-7-19-21(15-18)29(16-20-22(30)8-5-17(2)26-20)24(27-19)25-9-4-10-28-11-13-32-14-12-28/h5-8,15,30H,3-4,9-14,16H2,1-2H3,(H,25,27)