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

Systemtic Name: [3-acetamido-4-acetyloxy-5-methyl-1-(4-octylphenyl)hexan-2-yl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-4-methyl-1-[(4-octylphenyl)methyl]pentyl] acetate CAS Name: acetic acid [3-acetamido-4-acetyloxy-5-methyl-1-(4-octylphenyl)hexan-2-yl] ester IUPAC Name: [3-acetamido-4-acetyloxy-5-methyl-1-(4-octylphenyl)hexan-2-yl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-4-methyl-1-(4-octylbenzyl)pentyl] ester Formula: C27H43NO5 MolecularWeight: 461.63402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43NO5/c1-7-8-9-10-11-12-13-23-14-16-24(17-15-23)18-25(32-21(5)30)26(28-20(4)29)27(19(2)3)33-22(6)31/h14-17,19,25-27H,7-13,18H2,1-6H3,(H,28,29)