2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]ethanenitrile

Systemtic Name: 2-[2-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]ethanenitrile Openeye Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]acetonitrile CAS Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]acetonitrile IUPAC Name: 2-[2-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]acetonitrile Traditional Name: 2-[2-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]acetonitrile Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2CC#N

InChI

InChI=1S/C20H21NO3/c1-3-6-18-19(10-9-17(14(2)22)20(18)23)24-13-16-8-5-4-7-15(16)11-12-21/h4-5,7-10,23H,3,6,11,13H2,1-2H3