methyl 3-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxyacetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H22BrNO7 MolecularWeight: 492.31658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

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