(4-tert-butylcyclohexyl) 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-tert-butylcyclohexyl) 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: (4-tert-butylcyclohexyl) 4-[3,5-bis(trifluoromethyl)anilino]-4-oxo-butanoate CAS Name: 4-[3,5-bis(trifluoromethyl)anilino]-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-[3,5-bis(trifluoromethyl)anilino]-4-oxobutanoate Traditional Name: 4-[3,5-bis(trifluoromethyl)anilino]-4-keto-butyric acid (4-tert-butylcyclohexyl) ester Formula: C22H27F6NO3 MolecularWeight: 467.445099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H27F6NO3/c1-20(2,3)13-4-6-17(7-5-13)32-19(31)9-8-18(30)29-16-11-14(21(23,24)25)10-15(12-16)22(26,27)28/h10-13,17H,4-9H2,1-3H3,(H,29,30)