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

Systemtic Name: [6-(4-hexanoylphenyl)-2-methyl-hexyl] 2-acetamidoethanoate Openeye Name: [6-(4-hexanoylphenyl)-2-methyl-hexyl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic acid [2-methyl-6-[4-(1-oxohexyl)phenyl]hexyl] ester IUPAC Name: [6-(4-hexanoylphenyl)-2-methylhexyl] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [6-(4-caproylphenyl)-2-methyl-hexyl] ester Formula: C23H35NO4 MolecularWeight: 389.5283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35NO4/c1-4-5-6-11-22(26)21-14-12-20(13-15-21)10-8-7-9-18(2)17-28-23(27)16-24-19(3)25/h12-15,18H,4-11,16-17H2,1-3H3,(H,24,25)