6-(4-octylphenyl)hexyl 2-acetamidopropanoate

Systemtic Name: 6-(4-octylphenyl)hexyl 2-acetamidopropanoate Openeye Name: 6-(4-octylphenyl)hexyl 2-acetamidopropanoate CAS Name: 2-acetamidopropanoic acid 6-(4-octylphenyl)hexyl ester IUPAC Name: 6-(4-octylphenyl)hexyl 2-acetamidopropanoate Traditional Name: 2-acetamidopropionic acid 6-(4-octylphenyl)hexyl ester Formula: C25H41NO3 MolecularWeight: 403.59794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCCCCCOC(=O)C(C)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCCCCCOC(=O)C(C)NC(=O)C

InChI

InChI=1S/C25H41NO3/c1-4-5-6-7-8-11-14-23-16-18-24(19-17-23)15-12-9-10-13-20-29-25(28)21(2)26-22(3)27/h16-19,21H,4-15,20H2,1-3H3,(H,26,27)