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

Systemtic Name: diethyl 2-[1,5-bis[decyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(decyl)amino]-1-[2-[benzyl(decyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[decyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(decyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(decyl)amino]-1-[2-[benzyl(decyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C46H76N2O4 MolecularWeight: 721.10664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCC(CCN(CCCCCCCCCC)CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCN(CCC(CCN(CCCCCCCCCC)CC1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C46H76N2O4/c1-5-9-11-13-15-17-19-27-35-47(39-41-29-23-21-24-30-41)37-33-43(44(45(49)51-7-3)46(50)52-8-4)34-38-48(40-42-31-25-22-26-32-42)36-28-20-18-16-14-12-10-6-2/h21-26,29-32,43-44H,5-20,27-28,33-40H2,1-4H3