ethyl 1-(1-azanyl-1-oxidanylidene-butan-2-yl)-7-oxidanylidene-azepane-4-carboxylate

Systemtic Name: ethyl 1-(1-azanyl-1-oxidanylidene-butan-2-yl)-7-oxidanylidene-azepane-4-carboxylate Openeye Name: ethyl 1-(1-carbamoylpropyl)-7-oxo-azepane-4-carboxylate CAS Name: 1-(1-amino-1-oxobutan-2-yl)-7-oxo-4-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-amino-1-oxobutan-2-yl)-7-oxoazepane-4-carboxylate Traditional Name: 1-(1-carbamoylpropyl)-7-keto-azepane-4-carboxylic acid ethyl ester Formula: C13H22N2O4 MolecularWeight: 270.32478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)N1CCC(CCC1=O)C(=O)OCC

Isomeric SMILES

CCC(C(=O)N)N1CCC(CCC1=O)C(=O)OCC

InChI

InChI=1S/C13H22N2O4/c1-3-10(12(14)17)15-8-7-9(5-6-11(15)16)13(18)19-4-2/h9-10H,3-8H2,1-2H3,(H2,14,17)