[4-acetyloxy-2-(1,3-dicyano-3-oxidanyl-butyl)-3,5-di(propan-2-yl)phenyl] ethanoate

Systemtic Name: [4-acetyloxy-2-(1,3-dicyano-3-oxidanyl-butyl)-3,5-di(propan-2-yl)phenyl] ethanoate Openeye Name: [4-acetoxy-2-(1,3-dicyano-3-hydroxy-butyl)-3,5-diisopropyl-phenyl] acetate CAS Name: acetic acid [4-acetyloxy-2-(1,3-dicyano-3-hydroxybutyl)-3,5-di(propan-2-yl)phenyl] ester IUPAC Name: [4-acetyloxy-2-(1,3-dicyano-3-hydroxybutyl)-3,5-di(propan-2-yl)phenyl] acetate Traditional Name: acetic acid [4-acetoxy-2-(1,3-dicyano-3-hydroxy-butyl)-3,5-diisopropyl-phenyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5/c1-12(2)17-8-18(28-14(5)25)20(16(10-23)9-22(7,27)11-24)19(13(3)4)21(17)29-15(6)26/h8,12-13,16,27H,9H2,1-7H3