3,3-dimethyl-5-oxidanylidene-5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[4-[4-(trifluoromethyl)phenyl]piperazino]valeric acid Formula: C18H23F3N2O3 MolecularWeight: 372.38203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C18H23F3N2O3/c1-17(2,12-16(25)26)11-15(24)23-9-7-22(8-10-23)14-5-3-13(4-6-14)18(19,20)21/h3-6H,7-12H2,1-2H3,(H,25,26)