methyl 3-[[4-(1-benzofuran-2-ylcarbonyl)-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[4-(1-benzofuran-2-ylcarbonyl)-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3-[[4-(benzofuran-2-carbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3-[[4-[2-benzofuranyl(oxo)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-benzofuran-2-carbonyl)-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3-[[4-(benzofuran-2-carbonyl)-7-keto-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCN(CCC2=O)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H22N2O5/c1-29-23(28)18-7-4-5-16(13-18)15-25-12-11-24(10-9-21(25)26)22(27)20-14-17-6-2-3-8-19(17)30-20/h2-8,13-14H,9-12,15H2,1H3