O1-acetamido O3-ethyl 2-ethyl-2-[2-(4-octylphenyl)ethyl]propanedioate

Systemtic Name: O1-acetamido O3-ethyl 2-ethyl-2-[2-(4-octylphenyl)ethyl]propanedioate Openeye Name: O1-acetamido O3-ethyl 2-ethyl-2-[2-(4-octylphenyl)ethyl]propanedioate CAS Name: 2-ethyl-2-[2-(4-octylphenyl)ethyl]propanedioic acid O1-acetamido ester O3-ethyl ester IUPAC Name: 1-O-acetamido 3-O-ethyl 2-ethyl-2-[2-(4-octylphenyl)ethyl]propanedioate Traditional Name: 2-ethyl-2-[2-(4-octylphenyl)ethyl]malonic acid O1-acetamido ester O3-ethyl ester Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(CC)(C(=O)OCC)C(=O)ONC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CC)(C(=O)OCC)C(=O)ONC(=O)C

InChI

InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(6-2,23(28)30-7-3)24(29)31-26-20(4)27/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)