[6-(4-decanoylphenyl)-2-methyl-hexyl] 2-acetamidoethanoate

Systemtic Name: [6-(4-decanoylphenyl)-2-methyl-hexyl] 2-acetamidoethanoate Openeye Name: [6-(4-decanoylphenyl)-2-methyl-hexyl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic acid [2-methyl-6-[4-(1-oxodecyl)phenyl]hexyl] ester IUPAC Name: [6-(4-decanoylphenyl)-2-methylhexyl] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [6-(4-caprylphenyl)-2-methyl-hexyl] ester Formula: C27H43NO4 MolecularWeight: 445.63462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO4/c1-4-5-6-7-8-9-10-15-26(30)25-18-16-24(17-19-25)14-12-11-13-22(2)21-32-27(31)20-28-23(3)29/h16-19,22H,4-15,20-21H2,1-3H3,(H,28,29)