1-[(5-bromanylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-[3-(trifluoromethyl)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-[3-(trifluoromethyl)phenyl]methyl]pipecolinic acid Formula: C18H17BrF3NO2S MolecularWeight: 448.29729

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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=CC=C(S3)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=C(S3)Br

InChI

InChI=1S/C18H17BrF3NO2S/c19-15-8-7-14(26-15)16(23-9-2-1-6-13(23)17(24)25)11-4-3-5-12(10-11)18(20,21)22/h3-5,7-8,10,13,16H,1-2,6,9H2,(H,24,25)