5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentanenitrile

Systemtic Name: 5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)pentanenitrile Openeye Name: 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)pentanenitrile CAS Name: 5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentanenitrile IUPAC Name: 5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentanenitrile Traditional Name: 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)valeronitrile Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCC#N

InChI

InChI=1S/C16H21NO3/c1-3-7-14-15(20-11-6-4-5-10-17)9-8-13(12(2)18)16(14)19/h8-9,19H,3-7,11H2,1-2H3