2-ethanoyl-4-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-ethanoyl-4-[[(2S)-1-(4-hydroxyphenyl)-3-oxidanyl-propan-2-yl]amino]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-acetyl-4-[[(1S)-1-(hydroxymethyl)-2-(4-hydroxyphenyl)ethyl]amino]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-acetyl-4-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-acetyl-4-[[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-acetyl-4-[[(1S)-2-hydroxy-1-(4-hydroxybenzyl)ethyl]amino]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(=O)CC(C(C1=O)NC(CC2=CC=C(C=C2)O)CO)(C)C

Isomeric SMILES

CC(=O)C1C(=O)CC(C(C1=O)N[C@@H](CC2=CC=C(C=C2)O)CO)(C)C

InChI

InChI=1S/C19H25NO5/c1-11(22)16-15(24)9-19(2,3)18(17(16)25)20-13(10-21)8-12-4-6-14(23)7-5-12/h4-7,13,16,18,20-21,23H,8-10H2,1-3H3/t13-,16?,18?/m0/s1