(4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-phenethyl-pyrrolidine-2,3-dione

Systemtic Name: (4E)-5-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-4-[(4-fluorophenyl)-oxidanyl-methylidene]-1-phenethyl-pyrrolidine-2,3-dione Openeye Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-phenethyl-pyrrolidine-2,3-dione CAS Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenethylpyrrolidine-2,3-dione IUPAC Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-phenethylpyrrolidine-2,3-dione Traditional Name: (4E)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-[(4-fluorophenyl)-hydroxy-methylene]-1-phenethyl-pyrrolidine-2,3-quinone Formula: C26H21BrFNO5 MolecularWeight: 526.351043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)O)C(=O)C(=O)N2CCC4=CC=CC=C4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2CCC4=CC=CC=C4)Br)O

InChI

InChI=1S/C26H21BrFNO5/c1-34-20-14-17(13-19(27)24(20)31)22-21(23(30)16-7-9-18(28)10-8-16)25(32)26(33)29(22)12-11-15-5-3-2-4-6-15/h2-10,13-14,22,30-31H,11-12H2,1H3/b23-21+