3-[(2S)-2-(4-fluorophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate

Systemtic Name: 3-[(2S)-2-(4-fluorophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate Openeye Name: 3-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate CAS Name: 3-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]benzoate IUPAC Name: 3-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]benzoate Traditional Name: 3-[(2S)-2-(4-fluorophenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]benzoate Formula: C26H17FNO5- MolecularWeight: 442.415283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N([C@H]2C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(=O)[O-])O

InChI

InChI=1S/C26H18FNO5/c27-19-12-10-17(11-13-19)23-22(21(29)14-9-16-5-2-1-3-6-16)24(30)25(31)28(23)20-8-4-7-18(15-20)26(32)33/h1-15,23,30H,(H,32,33)/p-1/b14-9+/t23-/m0/s1