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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H21Br2NO5 MolecularWeight: 527.20314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCOCC3)Br

InChI

InChI=1S/C21H21Br2NO5/c1-14-10-17(22)20(18(23)11-14)28-12-15-2-4-16(5-3-15)21(26)29-13-19(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9,12-13H2,1H3