5-[4-ethanoyl-5-oxidanyl-2-(2-oxidanylpropyl)phenoxy]pentanenitrile

Systemtic Name: 5-[4-ethanoyl-5-oxidanyl-2-(2-oxidanylpropyl)phenoxy]pentanenitrile Openeye Name: 5-[4-acetyl-5-hydroxy-2-(2-hydroxypropyl)phenoxy]pentanenitrile CAS Name: 5-[4-acetyl-5-hydroxy-2-(2-hydroxypropyl)phenoxy]pentanenitrile IUPAC Name: 5-[4-acetyl-5-hydroxy-2-(2-hydroxypropyl)phenoxy]pentanenitrile Traditional Name: 5-[4-acetyl-5-hydroxy-2-(2-hydroxypropyl)phenoxy]valeronitrile Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC#N)O

Isomeric SMILES

CC(CC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC#N)O

InChI

InChI=1S/C16H21NO4/c1-11(18)8-13-9-14(12(2)19)15(20)10-16(13)21-7-5-3-4-6-17/h9-11,18,20H,3-5,7-8H2,1-2H3