3-ethanoyl-6-methyl-5,12-bis(oxidanylidene)-1,4-diazacyclododecane-7-carboxylic acid

Systemtic Name: 3-ethanoyl-6-methyl-5,12-bis(oxidanylidene)-1,4-diazacyclododecane-7-carboxylic acid Openeye Name: 3-acetyl-6-methyl-5,12-dioxo-1,4-diazacyclododecane-7-carboxylic acid CAS Name: 3-acetyl-6-methyl-5,12-dioxo-1,4-diazacyclododecane-7-carboxylic acid IUPAC Name: 3-acetyl-6-methyl-5,12-dioxo-1,4-diazacyclododecane-7-carboxylic acid Traditional Name: 3-acetyl-5,12-diketo-6-methyl-1,4-diazacyclododecane-7-carboxylic acid Formula: C14H22N2O5 MolecularWeight: 298.33488

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCCC(=O)NCC(NC1=O)C(=O)C)C(=O)O

Isomeric SMILES

CC1C(CCCCC(=O)NCC(NC1=O)C(=O)C)C(=O)O

InChI

InChI=1S/C14H22N2O5/c1-8-10(14(20)21)5-3-4-6-12(18)15-7-11(9(2)17)16-13(8)19/h8,10-11H,3-7H2,1-2H3,(H,15,18)(H,16,19)(H,20,21)