4-[[5-bromanyl-2-[[3-fluoranyl-4-(4-methoxy-2-methyl-phenyl)carbonyl-phenyl]amino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5-bromanyl-2-[[3-fluoranyl-4-(4-methoxy-2-methyl-phenyl)carbonyl-phenyl]amino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-2-[3-fluoro-4-(4-methoxy-2-methyl-benzoyl)anilino]anilino]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-2-[3-fluoro-4-[(4-methoxy-2-methylphenyl)-oxomethyl]anilino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-2-[3-fluoro-4-(4-methoxy-2-methylbenzoyl)anilino]anilino]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-2-[3-fluoro-4-(4-methoxy-2-methyl-benzoyl)anilino]anilino]-4-keto-butyric acid Formula: C25H22BrFN2O5 MolecularWeight: 529.354983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)CCC(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)OC)C(=O)C2=C(C=C(C=C2)NC3=C(C=C(C=C3)Br)NC(=O)CCC(=O)O)F

InChI

InChI=1S/C25H22BrFN2O5/c1-14-11-17(34-2)5-7-18(14)25(33)19-6-4-16(13-20(19)27)28-21-8-3-15(26)12-22(21)29-23(30)9-10-24(31)32/h3-8,11-13,28H,9-10H2,1-2H3,(H,29,30)(H,31,32)