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

Systemtic Name: tris(phenylmethyl) 10-(2-ethoxy-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tribenzyl 10-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tris(phenylmethyl) ester IUPAC Name: tribenzyl 10-(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-(2-ethoxy-2-keto-ethyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tribenzyl ester Formula: C36H44N4O8 MolecularWeight: 660.75656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(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)CN1CCN(CCN(CCN(CC1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H44N4O8/c1-2-45-33(41)26-37-18-20-38(34(42)46-27-30-12-6-3-7-13-30)22-24-40(36(44)48-29-32-16-10-5-11-17-32)25-23-39(21-19-37)35(43)47-28-31-14-8-4-9-15-31/h3-17H,2,18-29H2,1H3