4-[(1R,2R)-1-oxidanyl-2-(phenylcarbonyl)butyl]benzenecarbonitrile

Systemtic Name: 4-[(1R,2R)-1-oxidanyl-2-(phenylcarbonyl)butyl]benzenecarbonitrile Openeye Name: 4-[(1R,2R)-2-benzoyl-1-hydroxy-butyl]benzonitrile CAS Name: 4-[(1R,2R)-2-benzoyl-1-hydroxybutyl]benzonitrile IUPAC Name: 4-[(1R,2R)-2-benzoyl-1-hydroxybutyl]benzonitrile Traditional Name: 4-[(1R,2R)-2-benzoyl-1-hydroxy-butyl]benzonitrile Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2/c1-2-16(17(20)14-6-4-3-5-7-14)18(21)15-10-8-13(12-19)9-11-15/h3-11,16,18,21H,2H2,1H3/t16-,18-/m0/s1