ditert-butyl 1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate

Systemtic Name: ditert-butyl 1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate Openeye Name: ditert-butyl 1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate CAS Name: 1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate Traditional Name: 1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylic acid ditert-butyl ester Formula: C20H40N4O4 MolecularWeight: 400.556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCNCCCNCC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCNCCCNCC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H40N4O4/c1-19(2,3)27-17(25)23-13-8-14-24(18(26)28-20(4,5)6)16-12-22-10-7-9-21-11-15-23/h21-22H,7-16H2,1-6H3