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

Systemtic Name: 5-[5-methoxy-4-(phenylcarbonyl)-2-prop-2-enyl-phenoxy]pentanenitrile Openeye Name: 5-(2-allyl-4-benzoyl-5-methoxy-phenoxy)pentanenitrile CAS Name: 5-(4-benzoyl-5-methoxy-2-prop-2-enylphenoxy)pentanenitrile IUPAC Name: 5-(4-benzoyl-5-methoxy-2-prop-2-enylphenoxy)pentanenitrile Traditional Name: 5-(2-allyl-4-benzoyl-5-methoxy-phenoxy)valeronitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)CC=C)OCCCCC#N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)CC=C)OCCCCC#N

InChI

InChI=1S/C22H23NO3/c1-3-10-18-15-19(22(24)17-11-6-4-7-12-17)21(25-2)16-20(18)26-14-9-5-8-13-23/h3-4,6-7,11-12,15-16H,1,5,8-10,14H2,2H3