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

Systemtic Name: [6-(4-decylphenyl)-2-methyl-hexyl] 2-acetamidoethanoate Openeye Name: [6-(4-decylphenyl)-2-methyl-hexyl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic acid [6-(4-decylphenyl)-2-methylhexyl] ester IUPAC Name: [6-(4-decylphenyl)-2-methylhexyl] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [6-(4-decylphenyl)-2-methyl-hexyl] ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)CCCCC(C)COC(=O)CNC(=O)C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)CCCCC(C)COC(=O)CNC(=O)C

InChI

InChI=1S/C27H45NO3/c1-4-5-6-7-8-9-10-11-15-25-17-19-26(20-18-25)16-13-12-14-23(2)22-31-27(30)21-28-24(3)29/h17-20,23H,4-16,21-22H2,1-3H3,(H,28,29)