6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[4-[4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H21F3N2O3 MolecularWeight: 382.37685

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C19H21F3N2O3/c20-19(21,22)13-5-7-14(8-6-13)23-9-11-24(12-10-23)17(25)15-3-1-2-4-16(15)18(26)27/h1-2,5-8,15-16H,3-4,9-12H2,(H,26,27)