bis(phenylmethyl) 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate

Systemtic Name: bis(phenylmethyl) 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate Openeye Name: dibenzyl 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate CAS Name: 4,10-bis[butylamino(oxo)methyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate Traditional Name: 4,10-bis(butylcarbamoyl)-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid dibenzyl ester Formula: C34H50N6O6 MolecularWeight: 638.7974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50N6O6/c1-3-5-17-35-31(41)37-19-23-39(33(43)45-27-29-13-9-7-10-14-29)25-21-38(32(42)36-18-6-4-2)22-26-40(24-20-37)34(44)46-28-30-15-11-8-12-16-30/h7-16H,3-6,17-28H2,1-2H3,(H,35,41)(H,36,42)