6-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[2-chloro-5-(trifluoromethyl)anilino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C17H17ClF3NO3 MolecularWeight: 375.76999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF3NO3/c1-8-5-11(12(16(24)25)6-9(8)2)15(23)22-14-7-10(17(19,20)21)3-4-13(14)18/h3-4,7,11-12H,5-6H2,1-2H3,(H,22,23)(H,24,25)