4-(4-octylphenyl)butyl 2-acetamido-3-acetyloxy-propanoate

Systemtic Name: 4-(4-octylphenyl)butyl 2-acetamido-3-acetyloxy-propanoate Openeye Name: 4-(4-octylphenyl)butyl 2-acetamido-3-acetoxy-propanoate CAS Name: 2-acetamido-3-acetyloxypropanoic acid 4-(4-octylphenyl)butyl ester IUPAC Name: 4-(4-octylphenyl)butyl 2-acetamido-3-acetyloxypropanoate Traditional Name: 2-acetamido-3-acetoxy-propionic acid 4-(4-octylphenyl)butyl ester Formula: C25H39NO5 MolecularWeight: 433.58086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCCCOC(=O)C(COC(=O)C)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCCCOC(=O)C(COC(=O)C)NC(=O)C

InChI

InChI=1S/C25H39NO5/c1-4-5-6-7-8-9-12-22-14-16-23(17-15-22)13-10-11-18-30-25(29)24(26-20(2)27)19-31-21(3)28/h14-17,24H,4-13,18-19H2,1-3H3,(H,26,27)