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

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

Systemtic Name:1-[bis[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Openeye Name:1-[bis[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CAS Name:1-[bis[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[bis[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
Traditional Name:1-[bis[2-(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=CC=C2C(F)(F)F)C3=CC=CC=C3C(F)(F)F)C(=O)O


Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC=CC=C3C(F)(F)F)C(=O)O


InChI

InChI=1S/C21H19F6NO2/c22-20(23,24)16-9-3-1-7-14(16)18(28-11-5-6-13(12-28)19(29)30)15-8-2-4-10-17(15)21(25,26)27/h1-4,7-10,13,18H,5-6,11-12H2,(H,29,30)


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