dimethyl 5-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-morpholino-2-oxo-ethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-keto-2-morpholino-ethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H28N4O7 MolecularWeight: 448.46962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC(=O)N3CCOCC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC(=O)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C21H28N4O7/c1-30-19(27)15-11-16(20(28)31-2)13-17(12-15)22-21(29)25-5-3-23(4-6-25)14-18(26)24-7-9-32-10-8-24/h11-13H,3-10,14H2,1-2H3,(H,22,29)