4-(4,4-dimethoxybutyl)-5-oxidanylidene-1,4-diazepane-1-carboxylic acid

Systemtic Name: 4-(4,4-dimethoxybutyl)-5-oxidanylidene-1,4-diazepane-1-carboxylic acid Openeye Name: 4-(4,4-dimethoxybutyl)-5-oxo-1,4-diazepane-1-carboxylic acid CAS Name: 4-(4,4-dimethoxybutyl)-5-oxo-1,4-diazepane-1-carboxylic acid IUPAC Name: 4-(4,4-dimethoxybutyl)-5-oxo-1,4-diazepane-1-carboxylic acid Traditional Name: 4-(4,4-dimethoxybutyl)-5-keto-1,4-diazepane-1-carboxylic acid Formula: C12H22N2O5 MolecularWeight: 274.31348

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCCN1CCN(CCC1=O)C(=O)O)OC

Isomeric SMILES

COC(CCCN1CCN(CCC1=O)C(=O)O)OC

InChI

InChI=1S/C12H22N2O5/c1-18-11(19-2)4-3-6-13-8-9-14(12(16)17)7-5-10(13)15/h11H,3-9H2,1-2H3,(H,16,17)