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

Systemtic Name: methyl 3-[4-cyclohexyl-3-oxidanylidene-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-cyclohexyl-3-oxo-6-(3-pyridylmethoxy)-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-cyclohexyl-3-oxo-6-(3-pyridinylmethoxy)-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-cyclohexyl-3-oxo-6-(pyridin-3-ylmethoxy)-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-cyclohexyl-3-keto-6-(3-pyridylmethoxy)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CN=CC=C3

Isomeric SMILES

COC(=O)CCN1CC(CN(C(=O)C1)C2CCCCC2)OCC3=CN=CC=C3

InChI

InChI=1S/C21H31N3O4/c1-27-21(26)9-11-23-13-19(28-16-17-6-5-10-22-12-17)14-24(20(25)15-23)18-7-3-2-4-8-18/h5-6,10,12,18-19H,2-4,7-9,11,13-16H2,1H3