2-[4-[[4-ethanoyl-2-(2-methylpropyl)-3-oxidanyl-phenyl]methoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[4-ethanoyl-2-(2-methylpropyl)-3-oxidanyl-phenyl]methoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[(4-acetyl-3-hydroxy-2-isobutyl-phenyl)methoxy]phenyl]acetonitrile CAS Name: 2-[4-[[4-acetyl-3-hydroxy-2-(2-methylpropyl)phenyl]methoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[[4-acetyl-3-hydroxy-2-(2-methylpropyl)phenyl]methoxy]phenyl]acetonitrile Traditional Name: 2-[4-(4-acetyl-3-hydroxy-2-isobutyl-benzyl)oxyphenyl]acetonitrile Formula: C21H23NO3 MolecularWeight: 337.41222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1O)C(=O)C)COC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H23NO3/c1-14(2)12-20-17(6-9-19(15(3)23)21(20)24)13-25-18-7-4-16(5-8-18)10-11-22/h4-9,14,24H,10,12-13H2,1-3H3