[5-(3-cyano-3-oxidanyl-butyl)-2,3-dimethyl-4-oxidanyl-phenyl] benzoate

Systemtic Name: [5-(3-cyano-3-oxidanyl-butyl)-2,3-dimethyl-4-oxidanyl-phenyl] benzoate Openeye Name: [5-(3-cyano-3-hydroxy-butyl)-4-hydroxy-2,3-dimethyl-phenyl] benzoate CAS Name: benzoic acid [5-(3-cyano-3-hydroxybutyl)-4-hydroxy-2,3-dimethylphenyl] ester IUPAC Name: [5-(3-cyano-3-hydroxybutyl)-4-hydroxy-2,3-dimethylphenyl] benzoate Traditional Name: benzoic acid [5-(3-cyano-3-hydroxy-butyl)-4-hydroxy-2,3-dimethyl-phenyl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C)O)CCC(C)(C#N)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C(=C1C)O)CCC(C)(C#N)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21NO4/c1-13-14(2)18(22)16(9-10-20(3,24)12-21)11-17(13)25-19(23)15-7-5-4-6-8-15/h4-8,11,22,24H,9-10H2,1-3H3