diethyl 2-acetamido-2-[2-[4-[heptyl(methyl)amino]phenyl]ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-[4-[heptyl(methyl)amino]phenyl]ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-[4-[heptyl(methyl)amino]phenyl]ethyl]propanedioate CAS Name: 2-acetamido-2-[2-[4-[heptyl(methyl)amino]phenyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-[4-[heptyl(methyl)amino]phenyl]ethyl]propanedioate Traditional Name: 2-acetamido-2-[2-[4-[heptyl(methyl)amino]phenyl]ethyl]malonic acid diethyl ester Formula: C25H40N2O5 MolecularWeight: 448.5955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C1=CC=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCN(C)C1=CC=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C25H40N2O5/c1-6-9-10-11-12-19-27(5)22-15-13-21(14-16-22)17-18-25(26-20(4)28,23(29)31-7-2)24(30)32-8-3/h13-16H,6-12,17-19H2,1-5H3,(H,26,28)