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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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