6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3,5-bis(trifluoromethyl)anilino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C18H17F6NO3 MolecularWeight: 409.322899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O)C

Isomeric SMILES

CC1=C(CC(C(C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O)C

InChI

InChI=1S/C18H17F6NO3/c1-8-3-13(14(16(27)28)4-9(8)2)15(26)25-12-6-10(17(19,20)21)5-11(7-12)18(22,23)24/h5-7,13-14H,3-4H2,1-2H3,(H,25,26)(H,27,28)