1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-ethyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-ethyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-ethylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(5-ethyl-2-pyridyl)methyl]isonipecotic acid Formula: C21H22ClF3N2O2 MolecularWeight: 426.85979

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H22ClF3N2O2/c1-2-13-3-6-18(26-12-13)19(27-9-7-14(8-10-27)20(28)29)16-11-15(21(23,24)25)4-5-17(16)22/h3-6,11-12,14,19H,2,7-10H2,1H3,(H,28,29)