tris(phenylmethyl) 10-(1-ethoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tris(phenylmethyl) 10-(1-ethoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tribenzyl 10-(2-ethoxy-1-methyl-2-oxo-ethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-(1-ethoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tris(phenylmethyl) ester IUPAC Name: tribenzyl 10-(1-ethoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-(2-ethoxy-2-keto-1-methyl-ethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tribenzyl ester Formula: C37H46N4O8 MolecularWeight: 674.78314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(C)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/C37H46N4O8/c1-3-46-34(42)30(2)38-19-21-39(35(43)47-27-31-13-7-4-8-14-31)23-25-41(37(45)49-29-33-17-11-6-12-18-33)26-24-40(22-20-38)36(44)48-28-32-15-9-5-10-16-32/h4-18,30H,3,19-29H2,1-2H3