bis(phenylmethyl) 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylate

Systemtic Name: bis(phenylmethyl) 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylate Openeye Name: dibenzyl 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylate CAS Name: 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylate Traditional Name: 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylic acid dibenzyl ester Formula: C26H37N5O4 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CNCCN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H37N5O4/c32-25(34-21-23-7-3-1-4-8-23)30-17-13-27-11-12-28-14-18-31(20-16-29-15-19-30)26(33)35-22-24-9-5-2-6-10-24/h1-10,27-29H,11-22H2