1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C20H22F3NO2S MolecularWeight: 397.45439

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H22F3NO2S/c1-2-16-6-7-17(27-16)18(24-10-8-13(9-11-24)19(25)26)14-4-3-5-15(12-14)20(21,22)23/h3-7,12-13,18H,2,8-11H2,1H3,(H,25,26)