ditert-butyl 7-(2,2-dimethylpropanoyloxy)-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate

Systemtic Name: ditert-butyl 7-(2,2-dimethylpropanoyloxy)-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate Openeye Name: ditert-butyl 7-(2,2-dimethylpropanoyloxy)-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate CAS Name: 7-(2,2-dimethyl-1-oxopropoxy)-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 7-(2,2-dimethylpropanoyloxy)-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylate Traditional Name: 7-pivaloyloxy-1,4,7,10-tetrazacyclododecane-1,4-dicarboxylic acid ditert-butyl ester Formula: C23H44N4O6 MolecularWeight: 472.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)ON1CCNCCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)ON1CCNCCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H44N4O6/c1-21(2,3)18(28)33-27-13-11-24-10-12-25(19(29)31-22(4,5)6)14-15-26(16-17-27)20(30)32-23(7,8)9/h24H,10-17H2,1-9H3