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

Systemtic Name: diethyl 2-[1,5-bis[2-hydroxyethyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(2-hydroxyethyl)amino]-1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[2-hydroxyethyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(2-hydroxyethyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(2-hydroxyethyl)amino]-1-[2-[benzyl(2-hydroxyethyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C30H44N2O6 MolecularWeight: 528.68016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O6/c1-3-37-29(35)28(30(36)38-4-2)27(15-17-31(19-21-33)23-25-11-7-5-8-12-25)16-18-32(20-22-34)24-26-13-9-6-10-14-26/h5-14,27-28,33-34H,3-4,15-24H2,1-2H3