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

Systemtic Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-ethyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-ethyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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