tert-butyl (1S,6R)-6-methyl-2-oxidanylidene-4-[[4-(trifluoromethyloxy)phenyl]amino]cyclohex-3-ene-1-carboxylate

Systemtic Name: tert-butyl (1S,6R)-6-methyl-2-oxidanylidene-4-[[4-(trifluoromethyloxy)phenyl]amino]cyclohex-3-ene-1-carboxylate Openeye Name: tert-butyl (1S,6R)-6-methyl-2-oxo-4-[4-(trifluoromethoxy)anilino]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-methyl-2-oxo-4-[4-(trifluoromethoxy)anilino]-1-cyclohex-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,6R)-6-methyl-2-oxo-4-[4-(trifluoromethoxy)anilino]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-2-keto-6-methyl-4-[4-(trifluoromethoxy)anilino]cyclohex-3-ene-1-carboxylic acid tert-butyl ester Formula: C19H22F3NO4 MolecularWeight: 385.37749

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1C(=O)OC(C)(C)C)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C[C@@H]1CC(=CC(=O)[C@H]1C(=O)OC(C)(C)C)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H22F3NO4/c1-11-9-13(10-15(24)16(11)17(25)27-18(2,3)4)23-12-5-7-14(8-6-12)26-19(20,21)22/h5-8,10-11,16,23H,9H2,1-4H3/t11-,16+/m1/s1