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

Systemtic Name: (1R,6S)-4-methyl-6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-4-methyl-6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-4-methyl-6-[oxo-[3-(trifluoromethyl)anilino]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-4-methyl-6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-4-methyl-6-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15F3NO3- MolecularWeight: 326.29041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3NO3/c1-9-5-6-12(15(22)23)13(7-9)14(21)20-11-4-2-3-10(8-11)16(17,18)19/h2-5,8,12-13H,6-7H2,1H3,(H,20,21)(H,22,23)/p-1/t12-,13+/m1/s1