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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzothiazol-2-yl-[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3)C(=O)O

InChI

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