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

Systemtic Name: ethyl 1-[[6-methyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]-phenyl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2-hydroxy-6-methyl-4-oxo-1-(2-pyridylmethyl)-3-pyridyl]-phenyl-methyl]piperidine-4-carboxylate CAS Name: 1-[[2-hydroxy-6-methyl-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-hydroxy-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-3-yl]-phenylmethyl]piperidine-4-carboxylate Traditional Name: 1-[[2-hydroxy-4-keto-6-methyl-1-(2-pyridylmethyl)-3-pyridyl]-phenyl-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=CC=CC=C2)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=C2)C3=C(N(C(=CC3=O)C)CC4=CC=CC=N4)O

InChI

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