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

Systemtic Name: diethyl 2-[1,5-bis[hexadecyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(hexadecyl)amino]-1-[2-[benzyl(hexadecyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[hexadecyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(hexadecyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(cetyl)amino]-1-[2-[benzyl(cetyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C58H100N2O4 MolecularWeight: 889.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCC(CCN(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCC(CCN(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C58H100N2O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-39-47-59(51-53-41-35-33-36-42-53)49-45-55(56(57(61)63-7-3)58(62)64-8-4)46-50-60(52-54-43-37-34-38-44-54)48-40-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h33-38,41-44,55-56H,5-32,39-40,45-52H2,1-4H3