ethyl 1-[[6-methyl-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-pyridin-3-yl-methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[6-methyl-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-pyridin-3-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-benzyl-2-hydroxy-6-methyl-4-oxo-3-pyridyl)-(3-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[[2-hydroxy-6-methyl-4-oxo-1-(phenylmethyl)-3-pyridinyl]-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-benzyl-2-hydroxy-6-methyl-4-oxopyridin-3-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(1-benzyl-2-hydroxy-4-keto-6-methyl-3-pyridyl)-(3-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CN=CC=C2)C3=C(N(C(=CC3=O)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CN=CC=C2)C3=C(N(C(=CC3=O)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C27H31N3O4/c1-3-34-27(33)21-11-14-29(15-12-21)25(22-10-7-13-28-17-22)24-23(31)16-19(2)30(26(24)32)18-20-8-5-4-6-9-20/h4-10,13,16-17,21,25,32H,3,11-12,14-15,18H2,1-2H3