ethyl 1-(3-phenylprop-2-ynoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-phenylprop-2-ynoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-phenylprop-2-ynoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(1-oxo-3-phenylprop-2-ynyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-phenylprop-2-ynoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(3-phenylpropioloyl)-4-[2-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C25H24F3NO3 MolecularWeight: 443.45817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C#CC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C#CC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C25H24F3NO3/c1-2-32-23(31)24(18-20-10-6-7-11-21(20)25(26,27)28)14-16-29(17-15-24)22(30)13-12-19-8-4-3-5-9-19/h3-11H,2,14-18H2,1H3