[3-acetamido-3-(acetyloxymethyl)-5-(4-octanoylphenyl)pentyl] ethanoate

Systemtic Name: [3-acetamido-3-(acetyloxymethyl)-5-(4-octanoylphenyl)pentyl] ethanoate Openeye Name: [3-acetamido-3-(acetoxymethyl)-5-(4-octanoylphenyl)pentyl] acetate CAS Name: acetic acid [3-acetamido-3-(acetyloxymethyl)-5-[4-(1-oxooctyl)phenyl]pentyl] ester IUPAC Name: [3-acetamido-3-(acetyloxymethyl)-5-(4-octanoylphenyl)pentyl] acetate Traditional Name: acetic acid [3-acetamido-3-(acetoxymethyl)-5-(4-caprylylphenyl)pentyl] ester Formula: C26H39NO6 MolecularWeight: 461.59096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(CCOC(=O)C)(COC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)CCC(CCOC(=O)C)(COC(=O)C)NC(=O)C

InChI

InChI=1S/C26H39NO6/c1-5-6-7-8-9-10-25(31)24-13-11-23(12-14-24)15-16-26(27-20(2)28,19-33-22(4)30)17-18-32-21(3)29/h11-14H,5-10,15-19H2,1-4H3,(H,27,28)