diethyl 2-acetamido-2-[4-(4-hexylphenyl)butyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[4-(4-hexylphenyl)butyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[4-(4-hexylphenyl)butyl]propanedioate CAS Name: 2-acetamido-2-[4-(4-hexylphenyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[4-(4-hexylphenyl)butyl]propanedioate Traditional Name: 2-acetamido-2-[4-(4-hexylphenyl)butyl]malonic acid diethyl ester Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C25H39NO5/c1-5-8-9-10-13-21-15-17-22(18-16-21)14-11-12-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h15-18H,5-14,19H2,1-4H3,(H,26,27)