ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[3-(trifluoromethyl)phenyl]-2-furoyl]nipecotic acid ethyl ester Formula: C20H20F3NO4 MolecularWeight: 395.37231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3NO4/c1-2-27-19(26)14-6-4-10-24(12-14)18(25)17-9-8-16(28-17)13-5-3-7-15(11-13)20(21,22)23/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3