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

Systemtic Name: 1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-[2-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C22H20F3NO2S MolecularWeight: 419.45991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CSC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CSC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H20F3NO2S/c23-22(24,25)18-9-3-1-8-16(18)20(26-11-5-6-14(12-26)21(27)28)17-13-29-19-10-4-2-7-15(17)19/h1-4,7-10,13-14,20H,5-6,11-12H2,(H,27,28)