2-[4,7-diethyl-10-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4,7-diethyl-10-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4,7-diethyl-10-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4,7-diethyl-10-(2-methyldioxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4,7-diethyl-10-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4,7-diethyl-10-(2-methylperoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C17H36N4O4 MolecularWeight: 360.49214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CCN(CCN(CC1)CCOOC)CC(=O)O)CC

Isomeric SMILES

CCN1CCN(CCN(CCN(CC1)CCOOC)CC(=O)O)CC

InChI

InChI=1S/C17H36N4O4/c1-4-18-6-7-19(5-2)9-12-21(16-17(22)23)13-11-20(10-8-18)14-15-25-24-3/h4-16H2,1-3H3,(H,22,23)