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

Systemtic Name: 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-[4-(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=C(C=C2)C(F)(F)F)C3=CC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

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

InChI

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