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

Systemtic Name: methyl 3-[2-oxidanylidene-4-(oxolan-2-ylcarbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[2-oxo-6-(4-pyridylmethoxy)-4-(tetrahydrofuran-2-carbonyl)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[2-oxo-4-[oxo(2-oxolanyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-4-(oxolane-2-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[2-keto-6-(4-pyridylmethoxy)-4-(tetrahydrofuran-2-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)C2CCCO2)OCC3=CC=NC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(CC1=O)C(=O)C2CCCO2)OCC3=CC=NC=C3

InChI

InChI=1S/C20H27N3O6/c1-27-19(25)6-9-22-11-16(29-14-15-4-7-21-8-5-15)12-23(13-18(22)24)20(26)17-3-2-10-28-17/h4-5,7-8,16-17H,2-3,6,9-14H2,1H3