2-[4-acetamido-2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-acetamido-2-[2-(4-bromanyl-2-fluoranyl-phenyl)ethanoylamino]phenoxy]ethanoic acid Openeye Name: 2-[4-acetamido-2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]phenoxy]acetic acid CAS Name: 2-[4-acetamido-2-[[2-(4-bromo-2-fluorophenyl)-1-oxoethyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-acetamido-2-[[2-(4-bromo-2-fluorophenyl)acetyl]amino]phenoxy]acetic acid Traditional Name: 2-[4-acetamido-2-[[2-(4-bromo-2-fluoro-phenyl)acetyl]amino]phenoxy]acetic acid Formula: C18H16BrFN2O5 MolecularWeight: 439.232443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OCC(=O)O)NC(=O)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OCC(=O)O)NC(=O)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H16BrFN2O5/c1-10(23)21-13-4-5-16(27-9-18(25)26)15(8-13)22-17(24)6-11-2-3-12(19)7-14(11)20/h2-5,7-8H,6,9H2,1H3,(H,21,23)(H,22,24)(H,25,26)