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

Systemtic Name: dimethyl 5-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-anilino-2-oxo-ethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(2-anilino-2-oxoethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-anilino-2-keto-ethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H28N4O6/c1-33-22(30)17-13-18(23(31)34-2)15-20(14-17)26-24(32)28-10-6-9-27(11-12-28)16-21(29)25-19-7-4-3-5-8-19/h3-5,7-8,13-15H,6,9-12,16H2,1-2H3,(H,25,29)(H,26,32)