3,3-dimethyl-5-phenylmethoxy-pentanenitrile

Systemtic Name: 3,3-dimethyl-5-phenylmethoxy-pentanenitrile Openeye Name: 5-benzyloxy-3,3-dimethyl-pentanenitrile CAS Name: 3,3-dimethyl-5-phenylmethoxypentanenitrile IUPAC Name: 3,3-dimethyl-5-phenylmethoxypentanenitrile Traditional Name: 5-benzoxy-3,3-dimethyl-valeronitrile Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOCC1=CC=CC=C1)CC#N

Isomeric SMILES

CC(C)(CCOCC1=CC=CC=C1)CC#N

InChI

InChI=1S/C14H19NO/c1-14(2,8-10-15)9-11-16-12-13-6-4-3-5-7-13/h3-7H,8-9,11-12H2,1-2H3