3,3-dimethyl-5-oxidanylidene-5-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pentanoic acid

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pentanoic acid Openeye Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]pentanoic acid CAS Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]pentanoic acid IUPAC Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-[4-[4-(trifluoromethyl)-2-pyridyl]piperazino]valeric acid Formula: C17H22F3N3O3 MolecularWeight: 373.37009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O3/c1-16(2,11-15(25)26)10-14(24)23-7-5-22(6-8-23)13-9-12(3-4-21-13)17(18,19)20/h3-4,9H,5-8,10-11H2,1-2H3,(H,25,26)