ethyl 4-[(2R)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[(2R)-3-ethanoyl-2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-5-keto-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2[C@@H](C(=C(C2=O)O)C(=O)C)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H21NO7/c1-4-30-22(28)13-5-8-15(9-6-13)23-19(18(12(2)24)20(26)21(23)27)14-7-10-16(25)17(11-14)29-3/h5-11,19,25-26H,4H2,1-3H3/t19-/m1/s1