methyl 5-[[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(3-oxo-1H-isobenzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[1-oxo-2-(3-oxo-1H-isobenzofuran-1-yl)ethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(3-oxo-1H-2-benzofuran-1-yl)acetyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-phthalidylacetyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H24N2O6/c1-28-22(27)18-8-7-15(29-18)14-23-9-4-10-24(12-11-23)20(25)13-19-16-5-2-3-6-17(16)21(26)30-19/h2-3,5-8,19H,4,9-14H2,1H3