6-ethanoyl-3,9-dimethyl-2,8-bis(oxidanylidene)-1-oxa-3,7-diazacyclododecane-10-carboxylic acid

Systemtic Name: 6-ethanoyl-3,9-dimethyl-2,8-bis(oxidanylidene)-1-oxa-3,7-diazacyclododecane-10-carboxylic acid Openeye Name: 6-acetyl-3,9-dimethyl-2,8-dioxo-1-oxa-3,7-diazacyclododecane-10-carboxylic acid CAS Name: 6-acetyl-3,9-dimethyl-2,8-dioxo-1-oxa-3,7-diazacyclododecane-10-carboxylic acid IUPAC Name: 6-acetyl-3,9-dimethyl-2,8-dioxo-1-oxa-3,7-diazacyclododecane-10-carboxylic acid Traditional Name: 6-acetyl-2,8-diketo-3,9-dimethyl-1-oxa-3,7-diazacyclododecane-10-carboxylic acid Formula: C14H22N2O6 MolecularWeight: 314.33428

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCOC(=O)N(CCC(NC1=O)C(=O)C)C)C(=O)O

Isomeric SMILES

CC1C(CCOC(=O)N(CCC(NC1=O)C(=O)C)C)C(=O)O

InChI

InChI=1S/C14H22N2O6/c1-8-10(13(19)20)5-7-22-14(21)16(3)6-4-11(9(2)17)15-12(8)18/h8,10-11H,4-7H2,1-3H3,(H,15,18)(H,19,20)