5-[2-ethyl-5-oxidanyl-4-(phenylcarbonyl)phenoxy]pentanenitrile

Systemtic Name: 5-[2-ethyl-5-oxidanyl-4-(phenylcarbonyl)phenoxy]pentanenitrile Openeye Name: 5-(4-benzoyl-2-ethyl-5-hydroxy-phenoxy)pentanenitrile CAS Name: 5-(4-benzoyl-2-ethyl-5-hydroxyphenoxy)pentanenitrile IUPAC Name: 5-(4-benzoyl-2-ethyl-5-hydroxyphenoxy)pentanenitrile Traditional Name: 5-(4-benzoyl-2-ethyl-5-hydroxy-phenoxy)valeronitrile Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)OCCCCC#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)O)OCCCCC#N

InChI

InChI=1S/C20H21NO3/c1-2-15-13-17(20(23)16-9-5-3-6-10-16)18(22)14-19(15)24-12-8-4-7-11-21/h3,5-6,9-10,13-14,22H,2,4,7-8,12H2,1H3