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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C21H18ClF6NO2 MolecularWeight: 465.816539

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C21H18ClF6NO2/c22-17-7-6-15(21(26,27)28)10-16(17)18(29-8-2-4-13(11-29)19(30)31)12-3-1-5-14(9-12)20(23,24)25/h1,3,5-7,9-10,13,18H,2,4,8,11H2,(H,30,31)