ditert-butyl 4-(2,2-dimethylpropanoyloxy)-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate

Systemtic Name: ditert-butyl 4-(2,2-dimethylpropanoyloxy)-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate Openeye Name: ditert-butyl 4-(2,2-dimethylpropanoyloxy)-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(2,2-dimethylpropanoyloxy)-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate Traditional Name: 4-pivaloyloxy-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylic acid ditert-butyl ester Formula: C25H48N4O6 MolecularWeight: 500.67182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)ON1CCCNCCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)ON1CCCNCCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H48N4O6/c1-23(2,3)20(30)35-29-16-10-12-26-13-17-27(21(31)33-24(4,5)6)14-11-15-28(18-19-29)22(32)34-25(7,8)9/h26H,10-19H2,1-9H3