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

Systemtic Name: tris(phenylmethyl) 10-(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tribenzyl 10-(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-[butylamino(oxo)methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tris(phenylmethyl) ester IUPAC Name: tribenzyl 10-(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tribenzyl ester Formula: C37H47N5O7 MolecularWeight: 673.79838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CCN(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)N1CCN(CCN(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H47N5O7/c1-2-3-19-38-34(43)39-20-22-40(35(44)47-28-31-13-7-4-8-14-31)24-26-42(37(46)49-30-33-17-11-6-12-18-33)27-25-41(23-21-39)36(45)48-29-32-15-9-5-10-16-32/h4-18H,2-3,19-30H2,1H3,(H,38,43)