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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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