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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2C(F)(F)F)C3=CC4=CC=CC=C4S3)C(=O)O

InChI

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