tris(phenylmethyl) 10-(3-methoxyphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tris(phenylmethyl) 10-(3-methoxyphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tribenzyl 10-(3-methoxyphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-(3-methoxyphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tris(phenylmethyl) ester IUPAC Name: tribenzyl 10-(3-methoxyphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-(3-methoxyphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tribenzyl ester Formula: C39H44N4O7 MolecularWeight: 680.78926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CCN(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CCN(CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C39H44N4O7/c1-47-36-19-11-18-35(28-36)40-20-22-41(37(44)48-29-32-12-5-2-6-13-32)24-26-43(39(46)50-31-34-16-9-4-10-17-34)27-25-42(23-21-40)38(45)49-30-33-14-7-3-8-15-33/h2-19,28H,20-27,29-31H2,1H3