methyl 3-[4-(1-benzofuran-2-ylcarbonyl)-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-(1-benzofuran-2-ylcarbonyl)-2-oxidanylidene-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-(benzofuran-2-carbonyl)-2-oxo-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[2-benzofuranyl(oxo)methyl]-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1-benzofuran-2-carbonyl)-2-oxo-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(benzofuran-2-carbonyl)-2-keto-6-(4-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2=CC3=CC=CC=C3O2)OCC4=CC=NC=C4

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2=CC3=CC=CC=C3O2)OCC4=CC=NC=C4

InChI

InChI=1S/C24H25N3O6/c1-31-23(29)8-11-26-13-19(32-16-17-6-9-25-10-7-17)14-27(15-22(26)28)24(30)21-12-18-4-2-3-5-20(18)33-21/h2-7,9-10,12,19H,8,11,13-16H2,1H3