diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxidanylidene-ethyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxidanylidene-ethyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxo-ethyl]propanedioate CAS Name: 2-acetamido-2-[2-(4-octylphenyl)-2-oxoethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[2-(4-octylphenyl)-2-oxoethyl]propanedioate Traditional Name: 2-acetamido-2-[2-keto-2-(4-octylphenyl)ethyl]malonic acid diethyl ester Formula: C25H37NO6 MolecularWeight: 447.56438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C25H37NO6/c1-5-8-9-10-11-12-13-20-14-16-21(17-15-20)22(28)18-25(26-19(4)27,23(29)31-6-2)24(30)32-7-3/h14-17H,5-13,18H2,1-4H3,(H,26,27)