3-[1-(3-ethoxyphenyl)-3-methanoyl-2-oxidanylidene-cyclohexyl]propanenitrile

Systemtic Name: 3-[1-(3-ethoxyphenyl)-3-methanoyl-2-oxidanylidene-cyclohexyl]propanenitrile Openeye Name: 3-[1-(3-ethoxyphenyl)-3-formyl-2-oxo-cyclohexyl]propanenitrile CAS Name: 3-[1-(3-ethoxyphenyl)-3-formyl-2-oxocyclohexyl]propanenitrile IUPAC Name: 3-[1-(3-ethoxyphenyl)-3-formyl-2-oxocyclohexyl]propanenitrile Traditional Name: 3-(3-formyl-2-keto-1-m-phenetyl-cyclohexyl)propionitrile Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2(CCCC(C2=O)C=O)CCC#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2(CCCC(C2=O)C=O)CCC#N

InChI

InChI=1S/C18H21NO3/c1-2-22-16-8-3-7-15(12-16)18(10-5-11-19)9-4-6-14(13-20)17(18)21/h3,7-8,12-14H,2,4-6,9-10H2,1H3