methyl 4-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H20BrNO7 MolecularWeight: 478.29

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H20BrNO7/c1-28-18-9-5-14(22)11-16(18)17(24)8-10-20(26)30-12-19(25)23-15-6-3-13(4-7-15)21(27)29-2/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,25)