3-[1-(3-methoxyphenyl)-2-oxidanylidene-cyclohexyl]propanenitrile

Systemtic Name: 3-[1-(3-methoxyphenyl)-2-oxidanylidene-cyclohexyl]propanenitrile Openeye Name: 3-[1-(3-methoxyphenyl)-2-oxo-cyclohexyl]propanenitrile CAS Name: 3-[1-(3-methoxyphenyl)-2-oxocyclohexyl]propanenitrile IUPAC Name: 3-[1-(3-methoxyphenyl)-2-oxocyclohexyl]propanenitrile Traditional Name: 3-[2-keto-1-(3-methoxyphenyl)cyclohexyl]propionitrile Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCCCC2=O)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCCCC2=O)CCC#N

InChI

InChI=1S/C16H19NO2/c1-19-14-7-4-6-13(12-14)16(10-5-11-17)9-3-2-8-15(16)18/h4,6-7,12H,2-3,5,8-10H2,1H3