1-[(2-bromanyl-5-fluoranyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-5-fluoranyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-5-fluoro-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-5-fluorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-bromo-5-fluoro-benzyl)nipecotic acid Formula: C13H15BrFNO2 MolecularWeight: 316.166103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=C(C=CC(=C2)F)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=C(C=CC(=C2)F)Br)C(=O)O

InChI

InChI=1S/C13H15BrFNO2/c14-12-4-3-11(15)6-10(12)8-16-5-1-2-9(7-16)13(17)18/h3-4,6,9H,1-2,5,7-8H2,(H,17,18)