bis(phenylmethyl) 4,10-bis(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4,10-bis(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate Openeye Name: dibenzyl 4,10-bis[2-oxo-2-(1-piperidyl)ethyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate CAS Name: 4,10-bis[2-oxo-2-(1-piperidinyl)ethyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4,10-bis(2-oxo-2-piperidin-1-ylethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate Traditional Name: 4,10-bis(2-keto-2-piperidino-ethyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid dibenzyl ester Formula: C38H54N6O6 MolecularWeight: 690.87196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)N4CCCCC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)N4CCCCC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C38H54N6O6/c45-35(41-17-9-3-10-18-41)29-39-21-25-43(37(47)49-31-33-13-5-1-6-14-33)26-22-40(30-36(46)42-19-11-4-12-20-42)24-28-44(27-23-39)38(48)50-32-34-15-7-2-8-16-34/h1-2,5-8,13-16H,3-4,9-12,17-32H2