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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C20H20ClF3N2O2/c1-12-5-8-16(25-11-12)18(26-9-3-2-4-17(26)19(27)28)14-10-13(20(22,23)24)6-7-15(14)21/h5-8,10-11,17-18H,2-4,9H2,1H3,(H,27,28)