(1-cyano-3,3-dimethyl-butyl) benzoate

Systemtic Name: (1-cyano-3,3-dimethyl-butyl) benzoate Openeye Name: (1-cyano-3,3-dimethyl-butyl) benzoate CAS Name: benzoic acid (1-cyano-3,3-dimethylbutyl) ester IUPAC Name: (1-cyano-3,3-dimethylbutyl) benzoate Traditional Name: benzoic acid (1-cyano-3,3-dimethyl-butyl) ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-14(2,3)9-12(10-15)17-13(16)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3