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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43)C(=O)O

InChI

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