[4-acetyloxy-5-tert-butyl-2-(3-cyano-3-oxidanyl-butyl)phenyl] ethanoate

Systemtic Name: [4-acetyloxy-5-tert-butyl-2-(3-cyano-3-oxidanyl-butyl)phenyl] ethanoate Openeye Name: [4-acetoxy-5-tert-butyl-2-(3-cyano-3-hydroxy-butyl)phenyl] acetate CAS Name: acetic acid [4-acetyloxy-5-tert-butyl-2-(3-cyano-3-hydroxybutyl)phenyl] ester IUPAC Name: [4-acetyloxy-5-tert-butyl-2-(3-cyano-3-hydroxybutyl)phenyl] acetate Traditional Name: acetic acid [4-acetoxy-5-tert-butyl-2-(3-cyano-3-hydroxy-butyl)phenyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1CCC(C)(C#N)O)OC(=O)C)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1CCC(C)(C#N)O)OC(=O)C)C(C)(C)C

InChI

InChI=1S/C19H25NO5/c1-12(21)24-16-10-15(18(3,4)5)17(25-13(2)22)9-14(16)7-8-19(6,23)11-20/h9-10,23H,7-8H2,1-6H3