(2S)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-ethanoyl-5-oxidanylidene-1-(phenylmethyl)-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-benzyl-2-(3,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-2-(3,4-dimethoxyphenyl)-5-oxo-1-(phenylmethyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-benzyl-2-(3,4-dimethoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-benzyl-5-(3,4-dimethoxyphenyl)-2-keto-3-pyrrolin-3-olate Formula: C21H20NO5- MolecularWeight: 366.3872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@H]1C2=CC(=C(C=C2)OC)OC)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H21NO5/c1-13(23)18-19(15-9-10-16(26-2)17(11-15)27-3)22(21(25)20(18)24)12-14-7-5-4-6-8-14/h4-11,19,24H,12H2,1-3H3/p-1/t19-/m0/s1