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

Systemtic Name: diethyl 2-[1,5-bis[methyl-(phenylmethyl)amino]pentan-3-yl]propanedioate Openeye Name: diethyl 2-[3-[benzyl(methyl)amino]-1-[2-[benzyl(methyl)amino]ethyl]propyl]propanedioate CAS Name: 2-[1,5-bis[methyl-(phenylmethyl)amino]pentan-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1,5-bis[benzyl(methyl)amino]pentan-3-yl]propanedioate Traditional Name: 2-[3-[benzyl(methyl)amino]-1-[2-[benzyl(methyl)amino]ethyl]propyl]malonic acid diethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O4/c1-5-33-27(31)26(28(32)34-6-2)25(17-19-29(3)21-23-13-9-7-10-14-23)18-20-30(4)22-24-15-11-8-12-16-24/h7-16,25-26H,5-6,17-22H2,1-4H3