(1S,6R)-4-methyl-6-[[4-(trifluoromethyloxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-4-methyl-6-[[4-(trifluoromethyloxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-4-methyl-6-[[4-(trifluoromethoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-methyl-6-[oxo-[4-(trifluoromethoxy)anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-4-methyl-6-[[4-(trifluoromethoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-methyl-6-[[4-(trifluoromethoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15F3NO4- MolecularWeight: 342.28981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C16H16F3NO4/c1-9-2-7-12(15(22)23)13(8-9)14(21)20-10-3-5-11(6-4-10)24-16(17,18)19/h2-6,12-13H,7-8H2,1H3,(H,20,21)(H,22,23)/p-1/t12-,13+/m0/s1