bis(phenylmethyl) 1,4,7-triazonane-1,4-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1,4,7-triazonane-1,4-dicarboxylate Openeye Name: dibenzyl 1,4,7-triazonane-1,4-dicarboxylate CAS Name: 1,4,7-triazonane-1,4-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1,4,7-triazonane-1,4-dicarboxylate Traditional Name: 1,4,7-triazonane-1,4-dicarboxylic acid dibenzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c26-21(28-17-19-7-3-1-4-8-19)24-13-11-23-12-14-25(16-15-24)22(27)29-18-20-9-5-2-6-10-20/h1-10,23H,11-18H2