dimethyl 5-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(2-furylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(2-furanylmethyl)-1,4-diazepan-1-yl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(furan-2-ylmethyl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-furfuryl)-1,4-diazepane-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=CC=CO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)CC3=CC=CO3)C(=O)OC

InChI

InChI=1S/C21H25N3O6/c1-28-19(25)15-11-16(20(26)29-2)13-17(12-15)22-21(27)24-7-4-6-23(8-9-24)14-18-5-3-10-30-18/h3,5,10-13H,4,6-9,14H2,1-2H3,(H,22,27)