methyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H24N2O6/c1-26-21(25)18-8-7-15(28-18)13-22-9-4-10-23(12-11-22)20(24)19-14-27-16-5-2-3-6-17(16)29-19/h2-3,5-8,19H,4,9-14H2,1H3