ethyl 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxidanylidene-hexanoate Openeye Name: ethyl 6-cyano-3,3-dimethyl-6-(o-tolyl)-5-oxo-hexanoate CAS Name: 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxohexanoate Traditional Name: 6-cyano-5-keto-3,3-dimethyl-6-(o-tolyl)hexanoic acid ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC(=O)C(C#N)C1=CC=CC=C1C

Isomeric SMILES

CCOC(=O)CC(C)(C)CC(=O)C(C#N)C1=CC=CC=C1C

InChI

InChI=1S/C18H23NO3/c1-5-22-17(21)11-18(3,4)10-16(20)15(12-19)14-9-7-6-8-13(14)2/h6-9,15H,5,10-11H2,1-4H3