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

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylbutan-2-ylamino)-2-(phenylcarbonyl)cyclohex-2-en-1-one Openeye Name: 2-benzoyl-3-[1-(hydroxymethyl)propylamino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-benzoyl-3-(1-hydroxybutan-2-ylamino)-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-benzoyl-3-(1-hydroxybutan-2-ylamino)-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-benzoyl-5,5-dimethyl-3-(1-methylolpropylamino)cyclohex-2-en-1-one Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c1-4-14(12-21)20-15-10-19(2,3)11-16(22)17(15)18(23)13-8-6-5-7-9-13/h5-9,14,20-21H,4,10-12H2,1-3H3