1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-bromo-4-fluoro-benzyl)isonipecotic acid Formula: C13H15BrFNO2 MolecularWeight: 316.166103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C13H15BrFNO2/c14-11-7-9(1-2-12(11)15)8-16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6,8H2,(H,17,18)