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

Systemtic Name: methyl 3-[2-oxidanylidene-4-(oxolan-3-ylcarbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-6-(4-pyridylmethoxy)-4-(tetrahydrofuran-3-carbonyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[oxo(3-oxolanyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-4-(oxolane-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-(4-pyridylmethoxy)-4-(tetrahydrofuran-3-carbonyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C20H27N3O6 MolecularWeight: 405.44488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2CCOC2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2CCOC2)OCC3=CC=NC=C3

InChI

InChI=1S/C20H27N3O6/c1-27-19(25)4-8-22-10-17(29-13-15-2-6-21-7-3-15)11-23(12-18(22)24)20(26)16-5-9-28-14-16/h2-3,6-7,16-17H,4-5,8-14H2,1H3