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

Systemtic Name: 5-(4-ethanoyl-5-oxidanyl-2-pentyl-phenoxy)pentanenitrile Openeye Name: 5-(4-acetyl-5-hydroxy-2-pentyl-phenoxy)pentanenitrile CAS Name: 5-(4-acetyl-5-hydroxy-2-pentylphenoxy)pentanenitrile IUPAC Name: 5-(4-acetyl-5-hydroxy-2-pentylphenoxy)pentanenitrile Traditional Name: 5-(4-acetyl-2-amyl-5-hydroxy-phenoxy)valeronitrile Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC#N

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCC#N

InChI

InChI=1S/C18H25NO3/c1-3-4-6-9-15-12-16(14(2)20)17(21)13-18(15)22-11-8-5-7-10-19/h12-13,21H,3-9,11H2,1-2H3