2-[4-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-bromo-5-fluoro-benzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-bromo-5-fluorophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-bromo-5-fluoro-benzoyl)piperazino]acetic acid Formula: C13H14BrFN2O3 MolecularWeight: 345.164263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC(=C2)Br)F

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC(=C2)Br)F

InChI

InChI=1S/C13H14BrFN2O3/c14-10-5-9(6-11(15)7-10)13(20)17-3-1-16(2-4-17)8-12(18)19/h5-7H,1-4,8H2,(H,18,19)