diethyl 2-[1,5-bis[octyl-(phenylmethyl)amino]pentan-3-yl]propanedioate

Systemtic Name: diethyl 2-[1,5-bis[octyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(octyl)amino]-1-[2-[benzyl(octyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[octyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(octyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(octyl)amino]-1-[2-[benzyl(octyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C42H68N2O4 MolecularWeight: 665.00032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCC(CCN(CCCCCCCC)CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCN(CCC(CCN(CCCCCCCC)CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C42H68N2O4/c1-5-9-11-13-15-23-31-43(35-37-25-19-17-20-26-37)33-29-39(40(41(45)47-7-3)42(46)48-8-4)30-34-44(32-24-16-14-12-10-6-2)36-38-27-21-18-22-28-38/h17-22,25-28,39-40H,5-16,23-24,29-36H2,1-4H3