methyl 5-[4-cyano-3-(phenylcarbonyl)phenyl]-5-methyl-hexanoate

Systemtic Name: methyl 5-[4-cyano-3-(phenylcarbonyl)phenyl]-5-methyl-hexanoate Openeye Name: methyl 5-(3-benzoyl-4-cyano-phenyl)-5-methyl-hexanoate CAS Name: 5-(3-benzoyl-4-cyanophenyl)-5-methylhexanoic acid methyl ester IUPAC Name: methyl 5-(3-benzoyl-4-cyanophenyl)-5-methylhexanoate Traditional Name: 5-(3-benzoyl-4-cyano-phenyl)-5-methyl-hexanoic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCC(=O)OC)C1=CC(=C(C=C1)C#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H23NO3/c1-22(2,13-7-10-20(24)26-3)18-12-11-17(15-23)19(14-18)21(25)16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3