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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC4=CC=CC=C43

InChI

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