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

Systemtic Name: 1-[thiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-thienyl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[3-thiophenyl-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[thiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-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=CSC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO2S/c19-18(20,21)15-5-3-12(4-6-15)16(14-7-9-25-11-14)22-8-1-2-13(10-22)17(23)24/h3-7,9,11,13,16H,1-2,8,10H2,(H,23,24)