2-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ylidene]ethanoic acid

Systemtic Name: 2-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ylidene]ethanoic acid Openeye Name: 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-piperidylidene]acetic acid CAS Name: 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinylidene]acetic acid IUPAC Name: 2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ylidene]acetic acid Traditional Name: 2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-piperidylidene]acetic acid Formula: C13H12ClF3N2O2 MolecularWeight: 320.69479

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1=CC(=O)O)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H12ClF3N2O2/c14-10-6-9(13(15,16)17)7-18-12(10)19-3-1-8(2-4-19)5-11(20)21/h5-7H,1-4H2,(H,20,21)