2-(13-oxidanylidene-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-7-yl)butanoic acid

Systemtic Name: 2-(13-oxidanylidene-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-7-yl)butanoic acid Openeye Name: 2-(13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-7-yl)butanoic acid CAS Name: 2-(13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-7-yl)butanoic acid IUPAC Name: 2-(13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-7-yl)butanoic acid Traditional Name: 2-(13-keto-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-7-yl)butyric acid Formula: C13H24N4O3 MolecularWeight: 284.35466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCNCCN2CCN(C2=O)CC1

Isomeric SMILES

CCC(C(=O)O)N1CCNCCN2CCN(C2=O)CC1

InChI

InChI=1S/C13H24N4O3/c1-2-11(12(18)19)15-5-3-14-4-6-16-9-10-17(8-7-15)13(16)20/h11,14H,2-10H2,1H3,(H,18,19)