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

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

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC4=CC=CC=C4S3

InChI

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