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

Systemtic Name: (1S,6R)-6-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[2-chloro-5-(trifluoromethyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H13ClF3NO3 MolecularWeight: 347.71683

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C15H13ClF3NO3/c16-11-6-5-8(15(17,18)19)7-12(11)20-13(21)9-3-1-2-4-10(9)14(22)23/h1-2,5-7,9-10H,3-4H2,(H,20,21)(H,22,23)/t9-,10+/m1/s1