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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C22H22BrNO7/c1-3-30-22(28)15-6-4-5-7-17(15)24-20(26)13-31-21(27)11-9-18(25)16-12-14(23)8-10-19(16)29-2/h4-8,10,12H,3,9,11,13H2,1-2H3,(H,24,26)