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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=C(C=CS2)C3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

CN1CCC(CC1)(C2=C(C=CS2)C3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H18F3NO2S/c1-22-9-7-17(8-10-22,16(23)24)15-13(6-11-25-15)12-4-2-3-5-14(12)18(19,20)21/h2-6,11H,7-10H2,1H3,(H,23,24)