(phenylmethyl) 4,7,10-trimethanoyl-1,4,7,10-tetrazacyclododecane-1-carboxylate

Systemtic Name: (phenylmethyl) 4,7,10-trimethanoyl-1,4,7,10-tetrazacyclododecane-1-carboxylate Openeye Name: benzyl 4,7,10-triformyl-1,4,7,10-tetrazacyclododecane-1-carboxylate CAS Name: 4,7,10-triformyl-1,4,7,10-tetrazacyclododecane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4,7,10-triformyl-1,4,7,10-tetrazacyclododecane-1-carboxylate Traditional Name: 4,7,10-triformyl-1,4,7,10-tetrazacyclododecane-1-carboxylic acid benzyl ester Formula: C19H26N4O5 MolecularWeight: 390.43354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1C=O)C=O)C(=O)OCC2=CC=CC=C2)C=O

Isomeric SMILES

C1CN(CCN(CCN(CCN1C=O)C=O)C(=O)OCC2=CC=CC=C2)C=O

InChI

InChI=1S/C19H26N4O5/c24-15-20-6-8-21(16-25)10-12-23(13-11-22(17-26)9-7-20)19(27)28-14-18-4-2-1-3-5-18/h1-5,15-17H,6-14H2