[4-cyano-2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] benzoate

Systemtic Name: [4-cyano-2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl] benzoate Openeye Name: [4-cyano-2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] benzoate CAS Name: benzoic acid [4-cyano-2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] ester IUPAC Name: [4-cyano-2-(3-hydroxy-3-methylbut-1-ynyl)phenyl] benzoate Traditional Name: benzoic acid [4-cyano-2-(3-hydroxy-3-methyl-but-1-ynyl)phenyl] ester Formula: C19H15NO3 MolecularWeight: 305.3273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C#CC1=C(C=CC(=C1)C#N)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H15NO3/c1-19(2,22)11-10-16-12-14(13-20)8-9-17(16)23-18(21)15-6-4-3-5-7-15/h3-9,12,22H,1-2H3