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

Systemtic Name: methyl 3-(4-cyanophenyl)-2,2-dimethyl-3-oxidanyl-propanoate Openeye Name: methyl 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethyl-propanoate CAS Name: 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethylpropanoate Traditional Name: 3-(4-cyanophenyl)-3-hydroxy-2,2-dimethyl-propionic acid methyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-13(2,12(16)17-3)11(15)10-6-4-9(8-14)5-7-10/h4-7,11,15H,1-3H3