methyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[2-(4-bromanylphenoxy)ethanoylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[2-(4-bromophenoxy)acetyl]amino]-4-morpholino-benzoate CAS Name: 3-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenoxy)acetyl]amino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[2-(4-bromophenoxy)acetyl]amino]-4-morpholino-benzoic acid methyl ester Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O5/c1-26-20(25)14-2-7-18(23-8-10-27-11-9-23)17(12-14)22-19(24)13-28-16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,24)