tert-butyl 2-[[4-cyano-3-(trifluoromethyl)phenyl]-ethyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[4-cyano-3-(trifluoromethyl)phenyl]-ethyl-amino]ethanoate Openeye Name: tert-butyl 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]acetate CAS Name: 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]acetate Traditional Name: 2-[4-cyano-N-ethyl-3-(trifluoromethyl)anilino]acetic acid tert-butyl ester Formula: C16H19F3N2O2 MolecularWeight: 328.32947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)OC(C)(C)C)C1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CCN(CC(=O)OC(C)(C)C)C1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O2/c1-5-21(10-14(22)23-15(2,3)4)12-7-6-11(9-20)13(8-12)16(17,18)19/h6-8H,5,10H2,1-4H3