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

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-1-[(6-methyl-2-oxo-1H-pyridin-3-yl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-(2-keto-6-methyl-1H-pyridine-3-carbonyl)nipecotic acid ethyl ester Formula: C22H25FN2O4 MolecularWeight: 400.443303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(NC2=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(NC2=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O4/c1-3-29-21(28)22(13-16-6-8-17(23)9-7-16)11-4-12-25(14-22)20(27)18-10-5-15(2)24-19(18)26/h5-10H,3-4,11-14H2,1-2H3,(H,24,26)