[3-(1-acetamido-2-acetyloxy-3-methyl-butyl)-2-octyl-phenyl] ethanoate

Systemtic Name: [3-(1-acetamido-2-acetyloxy-3-methyl-butyl)-2-octyl-phenyl] ethanoate Openeye Name: [3-(1-acetamido-2-acetoxy-3-methyl-butyl)-2-octyl-phenyl] acetate CAS Name: acetic acid [3-(1-acetamido-2-acetyloxy-3-methylbutyl)-2-octylphenyl] ester IUPAC Name: [3-(1-acetamido-2-acetyloxy-3-methylbutyl)-2-octylphenyl] acetate Traditional Name: acetic acid [3-(1-acetamido-2-acetoxy-3-methyl-butyl)-2-octyl-phenyl] ester Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC=C1OC(=O)C)C(C(C(C)C)OC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=C(C=CC=C1OC(=O)C)C(C(C(C)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C25H39NO5/c1-7-8-9-10-11-12-14-21-22(15-13-16-23(21)30-19(5)28)24(26-18(4)27)25(17(2)3)31-20(6)29/h13,15-17,24-25H,7-12,14H2,1-6H3,(H,26,27)