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

Systemtic Name: tert-butyl 2-[[4-cyano-3-(trifluoromethyl)phenyl]-(2-methylpropyl)amino]ethanoate Openeye Name: tert-butyl 2-[4-cyano-N-isobutyl-3-(trifluoromethyl)anilino]acetate CAS Name: 2-[4-cyano-N-(2-methylpropyl)-3-(trifluoromethyl)anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-cyano-N-(2-methylpropyl)-3-(trifluoromethyl)anilino]acetate Traditional Name: 2-[4-cyano-N-isobutyl-3-(trifluoromethyl)anilino]acetic acid tert-butyl ester Formula: C18H23F3N2O2 MolecularWeight: 356.38263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N2O2/c1-12(2)10-23(11-16(24)25-17(3,4)5)14-7-6-13(9-22)15(8-14)18(19,20)21/h6-8,12H,10-11H2,1-5H3