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

Systemtic Name: ditert-butyl 8-cyano-9-oxidanyl-1,5,9-triazacyclododecane-1,5-dicarboxylate Openeye Name: ditert-butyl 8-cyano-9-hydroxy-1,5,9-triazacyclododecane-1,5-dicarboxylate CAS Name: 8-cyano-9-hydroxy-1,5,9-triazacyclododecane-1,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 8-cyano-9-hydroxy-1,5,9-triazacyclododecane-1,5-dicarboxylate Traditional Name: 8-cyano-9-hydroxy-1,5,9-triazacyclododecane-1,5-dicarboxylic acid ditert-butyl ester Formula: C20H36N4O5 MolecularWeight: 412.52364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCC(N(CCC1)O)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCC(N(CCC1)O)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H36N4O5/c1-19(2,3)28-17(25)22-10-7-11-23(18(26)29-20(4,5)6)14-9-16(15-21)24(27)13-8-12-22/h16,27H,7-14H2,1-6H3