5,5-dimethyl-3-(1-oxidanylbutan-2-ylamino)-2-(2-phenylethanoyl)cyclohex-2-en-1-one

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylbutan-2-ylamino)-2-(2-phenylethanoyl)cyclohex-2-en-1-one Openeye Name: 3-[1-(hydroxymethyl)propylamino]-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one CAS Name: 3-(1-hydroxybutan-2-ylamino)-5,5-dimethyl-2-(1-oxo-2-phenylethyl)-1-cyclohex-2-enone IUPAC Name: 3-(1-hydroxybutan-2-ylamino)-5,5-dimethyl-2-(2-phenylacetyl)cyclohex-2-en-1-one Traditional Name: 5,5-dimethyl-3-(1-methylolpropylamino)-2-(2-phenylacetyl)cyclohex-2-en-1-one Formula: C20H27NO3 MolecularWeight: 329.43328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(CO)NC1=C(C(=O)CC(C1)(C)C)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H27NO3/c1-4-15(13-22)21-16-11-20(2,3)12-18(24)19(16)17(23)10-14-8-6-5-7-9-14/h5-9,15,21-22H,4,10-13H2,1-3H3