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

Systemtic Name: 5-oxidanylidene-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid Openeye Name: 5-oxo-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid CAS Name: 5-oxo-5-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]pentanoic acid IUPAC Name: 5-oxo-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanoic acid Traditional Name: 5-keto-5-[4-[3-(trifluoromethyl)phenyl]piperazino]valeric acid Formula: C16H19F3N2O3 MolecularWeight: 344.32887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCC(=O)O

InChI

InChI=1S/C16H19F3N2O3/c17-16(18,19)12-3-1-4-13(11-12)20-7-9-21(10-8-20)14(22)5-2-6-15(23)24/h1,3-4,11H,2,5-10H2,(H,23,24)