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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-[2-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2C(F)(F)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=CC=C2C(F)(F)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19F3N2O2S/c22-21(23,24)14-8-2-1-7-13(14)18(26-12-6-5-10-16(26)20(27)28)19-25-15-9-3-4-11-17(15)29-19/h1-4,7-9,11,16,18H,5-6,10,12H2,(H,27,28)