[4-acetyloxy-2-(3-cyano-3-oxidanyl-butyl)-3,5-di(propan-2-yl)phenyl] ethanoate

Systemtic Name: [4-acetyloxy-2-(3-cyano-3-oxidanyl-butyl)-3,5-di(propan-2-yl)phenyl] ethanoate Openeye Name: [4-acetoxy-2-(3-cyano-3-hydroxy-butyl)-3,5-diisopropyl-phenyl] acetate CAS Name: acetic acid [4-acetyloxy-2-(3-cyano-3-hydroxybutyl)-3,5-di(propan-2-yl)phenyl] ester IUPAC Name: [4-acetyloxy-2-(3-cyano-3-hydroxybutyl)-3,5-di(propan-2-yl)phenyl] acetate Traditional Name: acetic acid [4-acetoxy-2-(3-cyano-3-hydroxy-butyl)-3,5-diisopropyl-phenyl] ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1OC(=O)C)C(C)C)CCC(C)(C#N)O)OC(=O)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1OC(=O)C)C(C)C)CCC(C)(C#N)O)OC(=O)C

InChI

InChI=1S/C21H29NO5/c1-12(2)17-10-18(26-14(5)23)16(8-9-21(7,25)11-22)19(13(3)4)20(17)27-15(6)24/h10,12-13,25H,8-9H2,1-7H3