2-[3-[(4-ethanoyl-5-oxidanyl-2-prop-2-enyl-phenoxy)methyl]phenyl]ethanenitrile

Systemtic Name: 2-[3-[(4-ethanoyl-5-oxidanyl-2-prop-2-enyl-phenoxy)methyl]phenyl]ethanenitrile Openeye Name: 2-[3-[(4-acetyl-2-allyl-5-hydroxy-phenoxy)methyl]phenyl]acetonitrile CAS Name: 2-[3-[(4-acetyl-5-hydroxy-2-prop-2-enylphenoxy)methyl]phenyl]acetonitrile IUPAC Name: 2-[3-[(4-acetyl-5-hydroxy-2-prop-2-enylphenoxy)methyl]phenyl]acetonitrile Traditional Name: 2-[3-[(4-acetyl-2-allyl-5-hydroxy-phenoxy)methyl]phenyl]acetonitrile Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)OCC2=CC=CC(=C2)CC#N)CC=C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)OCC2=CC=CC(=C2)CC#N)CC=C

InChI

InChI=1S/C20H19NO3/c1-3-5-17-11-18(14(2)22)19(23)12-20(17)24-13-16-7-4-6-15(10-16)8-9-21/h3-4,6-7,10-12,23H,1,5,8,13H2,2H3