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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-(4-ethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-ethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-ethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-ethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-ethylphenyl)methyl]pipecolinic acid Formula: C22H23ClF3NO2 MolecularWeight: 425.87173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCCC3C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=C(C=CC(=C2)C(F)(F)F)Cl)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H23ClF3NO2/c1-2-14-6-8-15(9-7-14)20(27-12-4-3-5-19(27)21(28)29)17-13-16(22(24,25)26)10-11-18(17)23/h6-11,13,19-20H,2-5,12H2,1H3,(H,28,29)