[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19BrFNO5 MolecularWeight: 452.270963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H19BrFNO5/c1-12(20(26)23-16-6-4-3-5-15(16)22)28-19(25)10-8-17(24)14-11-13(21)7-9-18(14)27-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,23,26)