1-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(3-bromo-5-fluoro-benzoyl)piperidine-3-carboxylic acid CAS Name: 1-[(3-bromo-5-fluorophenyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-bromo-5-fluorobenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-bromo-5-fluoro-benzoyl)nipecotic acid Formula: C13H13BrFNO3 MolecularWeight: 330.149623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrFNO3/c14-10-4-9(5-11(15)6-10)12(17)16-3-1-2-8(7-16)13(18)19/h4-6,8H,1-3,7H2,(H,18,19)