3-[2-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethoxy]phenyl]propanoic acid CAS Name: 3-[2-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]oxyphenyl]propanoic acid IUPAC Name: 3-[2-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethoxy]phenyl]propionic acid Formula: C18H17BrFNO4 MolecularWeight: 410.234283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC2=CC=CC=C2CCC(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC2=CC=CC=C2CCC(=O)O

InChI

InChI=1S/C18H17BrFNO4/c1-11(18(24)21-15-8-7-13(19)10-14(15)20)25-16-5-3-2-4-12(16)6-9-17(22)23/h2-5,7-8,10-11H,6,9H2,1H3,(H,21,24)(H,22,23)