3-[3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[3-ethanoyl-2-(3-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-[4-acetyl-3-hydroxy-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-1-yl]propionic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)OC)CCC(=O)O)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)OC)CCC(=O)O)O

InChI

InChI=1S/C16H17NO6/c1-9(18)13-14(10-4-3-5-11(8-10)23-2)17(7-6-12(19)20)16(22)15(13)21/h3-5,8,14,21H,6-7H2,1-2H3,(H,19,20)