diethyl 2-acetamido-2-[(4-heptoxyphenyl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(4-heptoxyphenyl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(4-heptoxyphenyl)methyl]propanedioate CAS Name: 2-acetamido-2-[(4-heptoxyphenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(4-heptoxyphenyl)methyl]propanedioate Traditional Name: 2-acetamido-2-(4-heptoxybenzyl)malonic acid diethyl ester Formula: C23H35NO6 MolecularWeight: 421.5271

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C23H35NO6/c1-5-8-9-10-11-16-30-20-14-12-19(13-15-20)17-23(24-18(4)25,21(26)28-6-2)22(27)29-7-3/h12-15H,5-11,16-17H2,1-4H3,(H,24,25)