1-[bis[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[bis[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C21H19F6NO2 MolecularWeight: 431.371479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F6NO2/c22-20(23,24)16-7-3-13(4-8-16)18(28-11-1-2-15(12-28)19(29)30)14-5-9-17(10-6-14)21(25,26)27/h3-10,15,18H,1-2,11-12H2,(H,29,30)