(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-(4-hydroxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethanoyl-2-(4-hydroxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-homoveratryl-5-(4-hydroxyphenyl)-2-keto-3-pyrrolin-3-olate Formula: C22H22NO6- MolecularWeight: 396.41318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)O)CCC3=CC(=C(C=C3)OC)OC)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC=C(C=C2)O)CCC3=CC(=C(C=C3)OC)OC)[O-]

InChI

InChI=1S/C22H23NO6/c1-13(24)19-20(15-5-7-16(25)8-6-15)23(22(27)21(19)26)11-10-14-4-9-17(28-2)18(12-14)29-3/h4-9,12,20,25-26H,10-11H2,1-3H3/p-1/t20-/m0/s1