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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

InChI

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