[4-(4-decanoylphenyl)-2-methyl-butyl] 2-acetamidoethanoate

Systemtic Name: [4-(4-decanoylphenyl)-2-methyl-butyl] 2-acetamidoethanoate Openeye Name: [4-(4-decanoylphenyl)-2-methyl-butyl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic acid [2-methyl-4-[4-(1-oxodecyl)phenyl]butyl] ester IUPAC Name: [4-(4-decanoylphenyl)-2-methylbutyl] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [4-(4-caprylphenyl)-2-methyl-butyl] ester Formula: C25H39NO4 MolecularWeight: 417.58146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=CC=C(C=C1)CCC(C)COC(=O)CNC(=O)C

Isomeric SMILES

CCCCCCCCCC(=O)C1=CC=C(C=C1)CCC(C)COC(=O)CNC(=O)C

InChI

InChI=1S/C25H39NO4/c1-4-5-6-7-8-9-10-11-24(28)23-16-14-22(15-17-23)13-12-20(2)19-30-25(29)18-26-21(3)27/h14-17,20H,4-13,18-19H2,1-3H3,(H,26,27)