[2-(cyanomethyl)phenyl] 2,2-dimethylbutanoate

Systemtic Name: [2-(cyanomethyl)phenyl] 2,2-dimethylbutanoate Openeye Name: [2-(cyanomethyl)phenyl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [2-(cyanomethyl)phenyl] ester IUPAC Name: [2-(cyanomethyl)phenyl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [2-(cyanomethyl)phenyl] ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1=CC=CC=C1CC#N

Isomeric SMILES

CCC(C)(C)C(=O)OC1=CC=CC=C1CC#N

InChI

InChI=1S/C14H17NO2/c1-4-14(2,3)13(16)17-12-8-6-5-7-11(12)9-10-15/h5-8H,4,9H2,1-3H3