diethyl 2-[1,5-bis[4-oxidanylbutyl-(phenylmethyl)amino]pentan-3-yl]propanedioate

Systemtic Name: diethyl 2-[1,5-bis[4-oxidanylbutyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(4-hydroxybutyl)amino]-1-[2-[benzyl(4-hydroxybutyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[4-hydroxybutyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(4-hydroxybutyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(4-hydroxybutyl)amino]-1-[2-[benzyl(4-hydroxybutyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C34H52N2O6 MolecularWeight: 584.78648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CCN(CCCCO)CC1=CC=CC=C1)CCN(CCCCO)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CCN(CCCCO)CC1=CC=CC=C1)CCN(CCCCO)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C34H52N2O6/c1-3-41-33(39)32(34(40)42-4-2)31(19-23-35(21-11-13-25-37)27-29-15-7-5-8-16-29)20-24-36(22-12-14-26-38)28-30-17-9-6-10-18-30/h5-10,15-18,31-32,37-38H,3-4,11-14,19-28H2,1-2H3