1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[2-chloro-5-(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=CC3=CC=CC=C32)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC3=CC=CC=C32)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

InChI

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