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

Systemtic Name: 1-[(3-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C19H20F3NO2S MolecularWeight: 383.42781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H20F3NO2S/c1-12-7-10-26-17(12)16(23-8-5-13(6-9-23)18(24)25)14-3-2-4-15(11-14)19(20,21)22/h2-4,7,10-11,13,16H,5-6,8-9H2,1H3,(H,24,25)