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

Systemtic Name: 3-[3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid Openeye Name: 3-[3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]propanoic acid CAS Name: 3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid IUPAC Name: 3-[3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]propanoic acid Traditional Name: 3-(4-acetyl-3-hydroxy-2-keto-5-p-cumenyl-3-pyrrolin-1-yl)propionic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC(=O)O)O)C(=O)C

InChI

InChI=1S/C18H21NO5/c1-10(2)12-4-6-13(7-5-12)16-15(11(3)20)17(23)18(24)19(16)9-8-14(21)22/h4-7,10,16,23H,8-9H2,1-3H3,(H,21,22)