3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]butanoic acid

Systemtic Name: 3-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]butanoic acid Openeye Name: 3-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]butanoic acid CAS Name: 3-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanoic acid Traditional Name: 3-[[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:

CC(CC(=O)O)NC(=O)COC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(CC(=O)O)NC(=O)COC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C12H13BrFNO4/c1-7(4-12(17)18)15-11(16)6-19-10-3-2-8(13)5-9(10)14/h2-3,5,7H,4,6H2,1H3,(H,15,16)(H,17,18)