(E)-5-[4,5-bis(4-fluorophenyl)-2-propan-2-yl-imidazol-1-yl]-3-oxidanyl-2-(1,1,2-triphenylethyl)pent-4-eneperoxoic acid

Systemtic Name: (E)-5-[4,5-bis(4-fluorophenyl)-2-propan-2-yl-imidazol-1-yl]-3-oxidanyl-2-(1,1,2-triphenylethyl)pent-4-eneperoxoic acid Openeye Name: (E)-5-[4,5-bis(4-fluorophenyl)-2-isopropyl-imidazol-1-yl]-3-hydroxy-2-(1,1,2-triphenylethyl)pent-4-eneperoxoic acid CAS Name: (E)-5-[4,5-bis(4-fluorophenyl)-2-propan-2-yl-1-imidazolyl]-3-hydroxy-2-(1,1,2-triphenylethyl)-4-penteneperoxoic acid IUPAC Name: (E)-5-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3-hydroxy-2-(1,1,2-triphenylethyl)pent-4-eneperoxoic acid Traditional Name: (E)-5-[4,5-bis(4-fluorophenyl)-2-isopropyl-imidazol-1-yl]-3-hydroxy-2-(1,1,2-triphenylethyl)pent-4-eneperoxoic acid Formula: C43H38F2N2O4 MolecularWeight: 684.769626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(N1C=CC(C(C(=O)OO)C(CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

Isomeric SMILES

CC(C)C1=NC(=C(N1/C=C/C(C(C(=O)OO)C(CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F

InChI

InChI=1S/C43H38F2N2O4/c1-29(2)41-46-39(31-18-22-35(44)23-19-31)40(32-20-24-36(45)25-21-32)47(41)27-26-37(48)38(42(49)51-50)43(33-14-8-4-9-15-33,34-16-10-5-11-17-34)28-30-12-6-3-7-13-30/h3-27,29,37-38,48,50H,28H2,1-2H3/b27-26+