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

Systemtic Name: [3-acetamido-4-acetyloxy-1-(4-hexoxyphenyl)-5-methyl-hexan-2-yl] ethanoate Openeye Name: [2-acetamido-3-acetoxy-1-[(4-hexoxyphenyl)methyl]-4-methyl-pentyl] acetate CAS Name: acetic acid [3-acetamido-4-acetyloxy-1-(4-hexoxyphenyl)-5-methylhexan-2-yl] ester IUPAC Name: [3-acetamido-4-acetyloxy-1-(4-hexoxyphenyl)-5-methylhexan-2-yl] acetate Traditional Name: acetic acid [2-acetamido-3-acetoxy-1-(4-hexoxybenzyl)-4-methyl-pentyl] ester Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CC(C(C(C(C)C)OC(=O)C)NC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CC(C(C(C(C)C)OC(=O)C)NC(=O)C)OC(=O)C

InChI

InChI=1S/C25H39NO6/c1-7-8-9-10-15-30-22-13-11-21(12-14-22)16-23(31-19(5)28)24(26-18(4)27)25(17(2)3)32-20(6)29/h11-14,17,23-25H,7-10,15-16H2,1-6H3,(H,26,27)