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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-[4-(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=C(C=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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