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

Systemtic Name: ethyl 1-[(3-fluorophenyl)-[6-methyl-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(1-benzyl-2-hydroxy-6-methyl-4-oxo-3-pyridyl)-(3-fluorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-fluorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(phenylmethyl)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-benzyl-2-hydroxy-6-methyl-4-oxopyridin-3-yl)-(3-fluorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(1-benzyl-2-hydroxy-4-keto-6-methyl-3-pyridyl)-(3-fluorophenyl)methyl]isonipecotic acid ethyl ester Formula: C28H31FN2O4 MolecularWeight: 478.555143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31FN2O4/c1-3-35-28(34)21-12-14-30(15-13-21)26(22-10-7-11-23(29)17-22)25-24(32)16-19(2)31(27(25)33)18-20-8-5-4-6-9-20/h4-11,16-17,21,26,33H,3,12-15,18H2,1-2H3