1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-naphthalenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]pipecolinic acid Formula: C24H21ClF3NO2 MolecularWeight: 447.87725

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H21ClF3NO2/c25-20-12-11-16(14-19(20)24(26,27)28)22(29-13-4-3-10-21(29)23(30)31)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-9,11-12,14,21-22H,3-4,10,13H2,(H,30,31)