5-(3-methoxyphenyl)-5-oxidanylidene-4-phenyl-pentanenitrile

Systemtic Name: 5-(3-methoxyphenyl)-5-oxidanylidene-4-phenyl-pentanenitrile Openeye Name: 5-(3-methoxyphenyl)-5-oxo-4-phenyl-pentanenitrile CAS Name: 5-(3-methoxyphenyl)-5-oxo-4-phenylpentanenitrile IUPAC Name: 5-(3-methoxyphenyl)-5-oxo-4-phenylpentanenitrile Traditional Name: 5-keto-5-(3-methoxyphenyl)-4-phenyl-valeronitrile Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(CCC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H17NO2/c1-21-16-10-5-9-15(13-16)18(20)17(11-6-12-19)14-7-3-2-4-8-14/h2-5,7-10,13,17H,6,11H2,1H3