methyl 3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-4-morpholino-benzoate CAS Name: 3-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-4-morpholino-benzoic acid methyl ester Formula: C21H22Br2N2O5 MolecularWeight: 542.21778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br)Br

InChI

InChI=1S/C21H22Br2N2O5/c1-13-9-15(22)11-16(23)20(13)30-12-19(26)24-17-10-14(21(27)28-2)3-4-18(17)25-5-7-29-8-6-25/h3-4,9-11H,5-8,12H2,1-2H3,(H,24,26)