1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-chlorophenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-chlorophenyl)-[2-chloro-5-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C20H18Cl2F3NO2 MolecularWeight: 432.26363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H18Cl2F3NO2/c21-14-7-4-12(5-8-14)18(26-10-2-1-3-17(26)19(27)28)15-11-13(20(23,24)25)6-9-16(15)22/h4-9,11,17-18H,1-3,10H2,(H,27,28)