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

Systemtic Name: methyl 4-[[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C22H22BrNO7 MolecularWeight: 492.31658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H22BrNO7/c1-29-19-9-7-16(23)11-17(19)18(25)8-10-21(27)31-13-20(26)24-12-14-3-5-15(6-4-14)22(28)30-2/h3-7,9,11H,8,10,12-13H2,1-2H3,(H,24,26)