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

Systemtic Name: 1-[(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C20H18Cl2F3NO2 MolecularWeight: 432.26363

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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)Cl)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2F3NO2/c21-16-8-5-13(10-17(16)22)18(26-9-1-2-14(11-26)19(27)28)12-3-6-15(7-4-12)20(23,24)25/h3-8,10,14,18H,1-2,9,11H2,(H,27,28)