5-(2-butyl-4-ethanoyl-5-oxidanyl-phenoxy)pentanenitrile

Systemtic Name: 5-(2-butyl-4-ethanoyl-5-oxidanyl-phenoxy)pentanenitrile Openeye Name: 5-(4-acetyl-2-butyl-5-hydroxy-phenoxy)pentanenitrile CAS Name: 5-(4-acetyl-2-butyl-5-hydroxyphenoxy)pentanenitrile IUPAC Name: 5-(4-acetyl-2-butyl-5-hydroxyphenoxy)pentanenitrile Traditional Name: 5-(4-acetyl-2-butyl-5-hydroxy-phenoxy)valeronitrile Formula: C17H23NO3 MolecularWeight: 289.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC#N

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC#N

InChI

InChI=1S/C17H23NO3/c1-3-4-8-14-11-15(13(2)19)16(20)12-17(14)21-10-7-5-6-9-18/h11-12,20H,3-8,10H2,1-2H3