methyl 3-(4-cyanophenyl)-2,2-dimethyl-3-oxidanyl-butanoate

Systemtic Name: methyl 3-(4-cyanophenyl)-2,2-dimethyl-3-oxidanyl-butanoate Openeye Name: methyl 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethyl-butanoate CAS Name: 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethylbutanoic acid methyl ester IUPAC Name: methyl 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethylbutanoate Traditional Name: 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethyl-butyric acid methyl ester Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-13(2,12(16)18-4)14(3,17)11-7-5-10(9-15)6-8-11/h5-8,17H,1-4H3