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

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

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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=CS3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C18H17ClF3NO2S/c19-14-4-3-12(10-13(14)18(20,21)22)16(15-2-1-9-26-15)23-7-5-11(6-8-23)17(24)25/h1-4,9-11,16H,5-8H2,(H,24,25)