methyl 4-[[2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(4-fluorophenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(4-fluorophenyl)-4-oxo-butanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(4-fluorophenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(4-fluorophenyl)-4-oxobutanoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(4-fluorophenyl)-4-keto-butanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H20FNO6 MolecularWeight: 401.385003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H20FNO6/c1-28-21(27)16-4-2-14(3-5-16)12-23-19(25)13-29-20(26)11-10-18(24)15-6-8-17(22)9-7-15/h2-9H,10-13H2,1H3,(H,23,25)