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

Systemtic Name: diethyl 2-[2-acetamido-4-(4-butylphenyl)butyl]propanedioate Openeye Name: diethyl 2-[2-acetamido-4-(4-butylphenyl)butyl]propanedioate CAS Name: 2-[2-acetamido-4-(4-butylphenyl)butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-acetamido-4-(4-butylphenyl)butyl]propanedioate Traditional Name: 2-[2-acetamido-4-(4-butylphenyl)butyl]malonic acid diethyl ester Formula: C23H35NO5 MolecularWeight: 405.5277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCC(CC(C(=O)OCC)C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCC(CC(C(=O)OCC)C(=O)OCC)NC(=O)C

InChI

InChI=1S/C23H35NO5/c1-5-8-9-18-10-12-19(13-11-18)14-15-20(24-17(4)25)16-21(22(26)28-6-2)23(27)29-7-3/h10-13,20-21H,5-9,14-16H2,1-4H3,(H,24,25)