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

Systemtic Name: [4-(4-dodecylphenyl)-2-methyl-butyl] 2-acetamidoethanoate Openeye Name: [4-(4-dodecylphenyl)-2-methyl-butyl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic acid [4-(4-dodecylphenyl)-2-methylbutyl] ester IUPAC Name: [4-(4-dodecylphenyl)-2-methylbutyl] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [4-(4-laurylphenyl)-2-methyl-butyl] ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CCC(C)COC(=O)CNC(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CCC(C)COC(=O)CNC(=O)C

InChI

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