ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-[[1-(phenylmethyl)piperidin-4-yl]amino]benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(6-methyl-3-oxidanyl-pyridin-2-yl)methyl]-2-[[1-(phenylmethyl)piperidin-4-yl]amino]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(1-benzyl-4-piperidyl)amino]-3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazole-5-carboxylate CAS Name: 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[[1-(phenylmethyl)-4-piperidinyl]amino]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzylpiperidin-4-yl)amino]-3-[(3-hydroxy-6-methylpyridin-2-yl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-[(1-benzyl-4-piperidyl)amino]-3-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazole-5-carboxylic acid ethyl ester Formula: C29H33N5O3 MolecularWeight: 499.60402

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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)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=CC(=N3)C)O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N5O3/c1-3-37-28(36)22-10-11-24-26(17-22)34(19-25-27(35)12-9-20(2)30-25)29(32-24)31-23-13-15-33(16-14-23)18-21-7-5-4-6-8-21/h4-12,17,23,35H,3,13-16,18-19H2,1-2H3,(H,31,32)