(3S)-3-methyl-3-oxidanyl-5-phenylmethoxy-pentanenitrile

Systemtic Name: (3S)-3-methyl-3-oxidanyl-5-phenylmethoxy-pentanenitrile Openeye Name: (3S)-5-benzyloxy-3-hydroxy-3-methyl-pentanenitrile CAS Name: (3S)-3-hydroxy-3-methyl-5-phenylmethoxypentanenitrile IUPAC Name: (3S)-3-hydroxy-3-methyl-5-phenylmethoxypentanenitrile Traditional Name: (3S)-5-benzoxy-3-hydroxy-3-methyl-valeronitrile Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@](CCOCC1=CC=CC=C1)(CC#N)O

InChI

InChI=1S/C13H17NO2/c1-13(15,7-9-14)8-10-16-11-12-5-3-2-4-6-12/h2-6,15H,7-8,10-11H2,1H3/t13-/m0/s1