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

Systemtic Name: 5-[5-oxidanyl-4-(phenylcarbonyl)-2-prop-2-enyl-phenoxy]pentanenitrile Openeye Name: 5-(2-allyl-4-benzoyl-5-hydroxy-phenoxy)pentanenitrile CAS Name: 5-(4-benzoyl-5-hydroxy-2-prop-2-enylphenoxy)pentanenitrile IUPAC Name: 5-(4-benzoyl-5-hydroxy-2-prop-2-enylphenoxy)pentanenitrile Traditional Name: 5-(2-allyl-4-benzoyl-5-hydroxy-phenoxy)valeronitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-2-9-17-14-18(21(24)16-10-5-3-6-11-16)19(23)15-20(17)25-13-8-4-7-12-22/h2-3,5-6,10-11,14-15,23H,1,4,7-9,13H2