1-[(5-bromanylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C18H17BrF3NO2S MolecularWeight: 448.29729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(S3)Br

InChI

InChI=1S/C18H17BrF3NO2S/c19-15-6-5-14(26-15)16(23-9-7-12(8-10-23)17(24)25)11-1-3-13(4-2-11)18(20,21)22/h1-6,12,16H,7-10H2,(H,24,25)