[(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [(1R)-2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H28F3NO3 MolecularWeight: 399.44713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2CCC(CC2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C21H28F3NO3/c1-13(18(26)25-17-11-9-16(10-12-17)21(22,23)24)28-19(27)14-5-7-15(8-6-14)20(2,3)4/h9-15H,5-8H2,1-4H3,(H,25,26)/t13-,14?,15?/m1/s1