5-(4-ethanoyl-3-oxidanyl-2,6-dipropyl-phenoxy)pentanenitrile

Systemtic Name: 5-(4-ethanoyl-3-oxidanyl-2,6-dipropyl-phenoxy)pentanenitrile Openeye Name: 5-(4-acetyl-3-hydroxy-2,6-dipropyl-phenoxy)pentanenitrile CAS Name: 5-(4-acetyl-3-hydroxy-2,6-dipropylphenoxy)pentanenitrile IUPAC Name: 5-(4-acetyl-3-hydroxy-2,6-dipropylphenoxy)pentanenitrile Traditional Name: 5-(4-acetyl-3-hydroxy-2,6-dipropyl-phenoxy)valeronitrile Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1)C(=O)C)O)CCC)OCCCCC#N

Isomeric SMILES

CCCC1=C(C(=C(C(=C1)C(=O)C)O)CCC)OCCCCC#N

InChI

InChI=1S/C19H27NO3/c1-4-9-15-13-17(14(3)21)18(22)16(10-5-2)19(15)23-12-8-6-7-11-20/h13,22H,4-10,12H2,1-3H3