(2-oxidanylidene-2-phenylazanyl-ethyl) 1-[4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]piperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 1-[4,4,4-tris(fluoranyl)-3-oxidanylidene-but-1-enyl]piperidine-4-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 1-(4,4,4-trifluoro-3-oxo-but-1-enyl)piperidine-4-carboxylate CAS Name: 1-(4,4,4-trifluoro-3-oxobut-1-enyl)-4-piperidinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 1-(4,4,4-trifluoro-3-oxobut-1-enyl)piperidine-4-carboxylate Traditional Name: 1-(4,4,4-trifluoro-3-keto-but-1-enyl)isonipecotic acid (2-anilino-2-keto-ethyl) ester Formula: C18H19F3N2O4 MolecularWeight: 384.34967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)C=CC(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2)C=CC(=O)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O4/c19-18(20,21)15(24)8-11-23-9-6-13(7-10-23)17(26)27-12-16(25)22-14-4-2-1-3-5-14/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,25)