3-(butylamino)-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one

Systemtic Name: 3-(butylamino)-5,5-dimethyl-2-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: 2-benzoyl-3-(butylamino)-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-benzoyl-3-(butylamino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-benzoyl-3-(butylamino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-benzoyl-3-(butylamino)-5,5-dimethyl-cyclohex-2-en-1-one Formula: C19H25NO2 MolecularWeight: 299.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=O)CC(C1)(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO2/c1-4-5-11-20-15-12-19(2,3)13-16(21)17(15)18(22)14-9-7-6-8-10-14/h6-10,20H,4-5,11-13H2,1-3H3