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

Systemtic Name: ethyl 1-[(3-fluorophenyl)-[6-methyl-2-oxidanyl-4-oxidanylidene-1-(pyridin-2-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-fluorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(2-pyridylmethyl)-3-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(3-fluorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(2-pyridinylmethyl)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-fluorophenyl)-[2-hydroxy-6-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-fluorophenyl)-[2-hydroxy-4-keto-6-methyl-1-(2-pyridylmethyl)-3-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C27H30FN3O4 MolecularWeight: 479.543203

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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=N4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN3O4/c1-3-35-27(34)19-10-13-30(14-11-19)25(20-7-6-8-21(28)16-20)24-23(32)15-18(2)31(26(24)33)17-22-9-4-5-12-29-22/h4-9,12,15-16,19,25,33H,3,10-11,13-14,17H2,1-2H3