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

Systemtic Name: diethyl 2-[1,5-bis[phenethyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(phenethyl)amino]-1-[2-[benzyl(phenethyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[phenethyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(phenethyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(phenethyl)amino]-1-[2-[benzyl(phenethyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C42H52N2O4 MolecularWeight: 648.87328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CCN(CCC1=CC=CC=C1)CC2=CC=CC=C2)CCN(CCC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CCN(CCC1=CC=CC=C1)CC2=CC=CC=C2)CCN(CCC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C42H52N2O4/c1-3-47-41(45)40(42(46)48-4-2)39(27-31-43(33-37-21-13-7-14-22-37)29-25-35-17-9-5-10-18-35)28-32-44(34-38-23-15-8-16-24-38)30-26-36-19-11-6-12-20-36/h5-24,39-40H,3-4,25-34H2,1-2H3