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

Systemtic Name: diethyl 2-[2-acetamido-4-(4-hexylphenyl)butyl]propanedioate Openeye Name: diethyl 2-[2-acetamido-4-(4-hexylphenyl)butyl]propanedioate CAS Name: 2-[2-acetamido-4-(4-hexylphenyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-acetamido-4-(4-hexylphenyl)butyl]propanedioate Traditional Name: 2-[2-acetamido-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)CCC(CC(C(=O)OCC)C(=O)OCC)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H39NO5/c1-5-8-9-10-11-20-12-14-21(15-13-20)16-17-22(26-19(4)27)18-23(24(28)30-6-2)25(29)31-7-3/h12-15,22-23H,5-11,16-18H2,1-4H3,(H,26,27)