ditert-butyl 8-cyano-1,5,9-triazacyclododecane-1,5-dicarboxylate

Systemtic Name: ditert-butyl 8-cyano-1,5,9-triazacyclododecane-1,5-dicarboxylate Openeye Name: ditert-butyl 8-cyano-1,5,9-triazacyclododecane-1,5-dicarboxylate CAS Name: 8-cyano-1,5,9-triazacyclododecane-1,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 8-cyano-1,5,9-triazacyclododecane-1,5-dicarboxylate Traditional Name: 8-cyano-1,5,9-triazacyclododecane-1,5-dicarboxylic acid ditert-butyl ester Formula: C20H36N4O4 MolecularWeight: 396.52424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCNC(CCN(CCC1)C(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCNC(CCN(CCC1)C(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C20H36N4O4/c1-19(2,3)27-17(25)23-11-7-10-22-16(15-21)9-14-24(13-8-12-23)18(26)28-20(4,5)6/h16,22H,7-14H2,1-6H3