2-[(1R,2S)-2-oxidanyl-1-phenyl-cyclohexyl]ethanenitrile

Systemtic Name: 2-[(1R,2S)-2-oxidanyl-1-phenyl-cyclohexyl]ethanenitrile Openeye Name: 2-[(1R,2S)-2-hydroxy-1-phenyl-cyclohexyl]acetonitrile CAS Name: 2-[(1R,2S)-2-hydroxy-1-phenylcyclohexyl]acetonitrile IUPAC Name: 2-[(1R,2S)-2-hydroxy-1-phenylcyclohexyl]acetonitrile Traditional Name: 2-[(1R,2S)-2-hydroxy-1-phenyl-cyclohexyl]acetonitrile Formula: C14H17NO MolecularWeight: 215.29088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)(CC#N)C2=CC=CC=C2

Isomeric SMILES

C1CC[C@@]([C@H](C1)O)(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C14H17NO/c15-11-10-14(9-5-4-8-13(14)16)12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-10H2/t13-,14+/m0/s1