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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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