tris(phenylmethyl) 1,4,7,10-tetrazacyclododecane-1,2,2-tricarboxylate

Systemtic Name: tris(phenylmethyl) 1,4,7,10-tetrazacyclododecane-1,2,2-tricarboxylate Openeye Name: tribenzyl 1,4,7,10-tetrazacyclododecane-1,2,2-tricarboxylate CAS Name: 1,4,7,10-tetrazacyclododecane-1,2,2-tricarboxylic acid tris(phenylmethyl) ester IUPAC Name: tribenzyl 1,4,7,10-tetrazacyclododecane-1,2,2-tricarboxylate Traditional Name: 1,4,7,10-tetrazacyclododecane-1,2,2-tricarboxylic acid tribenzyl ester Formula: C32H38N4O6 MolecularWeight: 574.66732

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(CNCCN1)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CNCCN(C(CNCCN1)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H38N4O6/c37-29(40-22-26-10-4-1-5-11-26)32(30(38)41-23-27-12-6-2-7-13-27)25-35-19-18-33-16-17-34-20-21-36(32)31(39)42-24-28-14-8-3-9-15-28/h1-15,33-35H,16-25H2