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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CSC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CSC=C3

InChI

InChI=1S/C18H18F3NO2S/c19-18(20,21)15-3-1-12(2-4-15)16(14-7-10-25-11-14)22-8-5-13(6-9-22)17(23)24/h1-4,7,10-11,13,16H,5-6,8-9H2,(H,23,24)