[3-acetamido-4-acetyloxy-1-(4-hexylphenyl)-5-methyl-hexan-2-yl] ethanoate

Systemtic Name: [3-acetamido-4-acetyloxy-1-(4-hexylphenyl)-5-methyl-hexan-2-yl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-1-[(4-hexylphenyl)methyl]-4-methyl-pentyl] acetate CAS Name: acetic acid [3-acetamido-4-acetyloxy-1-(4-hexylphenyl)-5-methylhexan-2-yl] ester IUPAC Name: [3-acetamido-4-acetyloxy-1-(4-hexylphenyl)-5-methylhexan-2-yl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-1-(4-hexylbenzyl)-4-methyl-pentyl] ester Formula: C25H39NO5 MolecularWeight: 433.58086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CC(C(C(C(C)C)OC(=O)C)NC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CC(C(C(C(C)C)OC(=O)C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C25H39NO5/c1-7-8-9-10-11-21-12-14-22(15-13-21)16-23(30-19(5)28)24(26-18(4)27)25(17(2)3)31-20(6)29/h12-15,17,23-25H,7-11,16H2,1-6H3,(H,26,27)