4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]butanoic acid Openeye Name: 4-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]butanoic acid CAS Name: 4-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanoic acid Traditional Name: 4-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]butyric acid Formula: C12H13BrFNO4 MolecularWeight: 334.138323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)OCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)OCC(=O)NCCCC(=O)O

InChI

InChI=1S/C12H13BrFNO4/c13-8-3-4-10(9(14)6-8)19-7-11(16)15-5-1-2-12(17)18/h3-4,6H,1-2,5,7H2,(H,15,16)(H,17,18)