methyl 5-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-2-morpholino-benzoate CAS Name: 5-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-2-morpholino-benzoic acid methyl ester Formula: C21H22Br2N2O5 MolecularWeight: 542.21778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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