phenethyl 2-methylidene-6-oxidanylidene-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate

Systemtic Name: phenethyl 2-methylidene-6-oxidanylidene-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate Openeye Name: phenethyl 2-methylene-6-oxo-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate CAS Name: 2-methylene-6-oxo-4-[2-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-6-oxo-4-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate Traditional Name: 6-keto-2-methylene-4-[2-(trifluoromethyl)phenyl]nipecotic acid phenethyl ester Formula: C22H20F3NO3 MolecularWeight: 403.39431

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H20F3NO3/c1-14-20(21(28)29-12-11-15-7-3-2-4-8-15)17(13-19(27)26-14)16-9-5-6-10-18(16)22(23,24)25/h2-10,17,20H,1,11-13H2,(H,26,27)