[2-acetamido-2-(acetyloxymethyl)-4-(4-heptoxy-3-methyl-phenyl)butyl] ethanoate

Systemtic Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-heptoxy-3-methyl-phenyl)butyl] ethanoate Openeye Name: [2-acetamido-2-(acetoxymethyl)-4-(4-heptoxy-3-methyl-phenyl)butyl] acetate CAS Name: acetic acid [2-acetamido-2-(acetyloxymethyl)-4-(4-heptoxy-3-methylphenyl)butyl] ester IUPAC Name: [2-acetamido-2-(acetyloxymethyl)-4-(4-heptoxy-3-methylphenyl)butyl] acetate Traditional Name: acetic acid [2-acetamido-2-(acetoxymethyl)-4-(4-heptoxy-3-methyl-phenyl)butyl] ester Formula: C25H39NO6 MolecularWeight: 449.58026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C)C

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C)C

InChI

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