ditert-butyl 4,8-bis[(8-oxidanylquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate

Systemtic Name: ditert-butyl 4,8-bis[(8-oxidanylquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate Openeye Name: ditert-butyl 4,8-bis[(8-hydroxy-5-quinolyl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate CAS Name: 4,8-bis[(8-hydroxy-5-quinolinyl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4,8-bis[(8-hydroxyquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylate Traditional Name: 4,8-bis[(8-hydroxy-5-quinolyl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,11-dicarboxylic acid ditert-butyl ester Formula: C40H54N6O6 MolecularWeight: 714.89336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O)CC4=C5C=CC=NC5=C(C=C4)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)CC2=C3C=CC=NC3=C(C=C2)O)CC4=C5C=CC=NC5=C(C=C4)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C40H54N6O6/c1-39(2,3)51-37(49)45-21-10-22-46(38(50)52-40(4,5)6)26-24-44(28-30-14-16-34(48)36-32(30)12-8-18-42-36)20-9-19-43(23-25-45)27-29-13-15-33(47)35-31(29)11-7-17-41-35/h7-8,11-18,47-48H,9-10,19-28H2,1-6H3