3-[(2R)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[(2R)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid Openeye Name: 3-[(2R)-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoic acid CAS Name: 3-[(2R)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid IUPAC Name: 3-[(2R)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]benzoic acid Traditional Name: 3-[(5R)-3-hydroxy-2-keto-5-p-cumenyl-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]benzoic acid Formula: C29H25NO5 MolecularWeight: 467.5125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H25NO5/c1-18(2)20-12-14-21(15-13-20)26-25(24(31)16-11-19-7-4-3-5-8-19)27(32)28(33)30(26)23-10-6-9-22(17-23)29(34)35/h3-18,26,32H,1-2H3,(H,34,35)/b16-11+/t26-/m1/s1