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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-thiophen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-thienyl)methyl]nipecotic acid Formula: C18H17ClF3NO2S MolecularWeight: 403.84629

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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=CS3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C18H17ClF3NO2S/c19-14-6-5-11(9-13(14)18(20,21)22)16(15-4-2-8-26-15)23-7-1-3-12(10-23)17(24)25/h2,4-6,8-9,12,16H,1,3,7,10H2,(H,24,25)