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

Systemtic Name: 1-[1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C22H20F3NO2S MolecularWeight: 419.45991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

InChI

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