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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-fluorophenyl)methyl]isonipecotic acid Formula: C17H17BrFNO2S MolecularWeight: 398.289783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrFNO2S/c18-15-6-5-14(23-15)16(11-1-3-13(19)4-2-11)20-9-7-12(8-10-20)17(21)22/h1-6,12,16H,7-10H2,(H,21,22)