1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(5-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C20H20ClF3N2O2 MolecularWeight: 412.83321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H20ClF3N2O2/c1-12-2-5-17(25-11-12)18(26-8-6-13(7-9-26)19(27)28)14-3-4-16(21)15(10-14)20(22,23)24/h2-5,10-11,13,18H,6-9H2,1H3,(H,27,28)