3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzonitrile CAS Name: 3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzonitrile IUPAC Name: 3-[(4-acetyl-2-ethyl-5-hydroxyphenoxy)methyl]benzonitrile Traditional Name: 3-[(4-acetyl-2-ethyl-5-hydroxy-phenoxy)methyl]benzonitrile Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H17NO3/c1-3-15-8-16(12(2)20)17(21)9-18(15)22-11-14-6-4-5-13(7-14)10-19/h4-9,21H,3,11H2,1-2H3