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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrFN2O3/c14-9-1-2-10(11(15)7-9)13(20)17-5-3-16(4-6-17)8-12(18)19/h1-2,7H,3-6,8H2,(H,18,19)