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

Systemtic Name: 1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-thienyl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[thiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-thienyl-[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C18H18F3NO2S MolecularWeight: 369.40123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO2S/c19-18(20,21)14-7-5-12(6-8-14)16(15-4-2-10-25-15)22-9-1-3-13(11-22)17(23)24/h2,4-8,10,13,16H,1,3,9,11H2,(H,23,24)