4KQ
2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid
Find entries where: 4KQ
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid |
Identifiers | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid |
Formula | C27 H25 F3 O6 |
Molecular Weight | 502.479 |
Type | NON-POLYMER |
Isomeric SMILES | CC(C)(C)OC(=O)c1c(ccc(c1O)C(F)(F)F)COc2ccc(cc2)c3ccc(cc3)CC(=O)O |
InChI | InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(10-13-21(24(23)33)27(28,29)30)15-35-20-11-8-18(9-12-20)17-6-4-16(5-7-17)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32) |
InChIKey | XWHRMVBUKJEZFY-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 61 |
Chiral Atom Count | 0 |
Bond Count | 63 |
Aromatic Bond Count | 18 |
Related Resource References
Resource Name | Reference |
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PubChem | 11555148 |
ChEMBL | CHEMBL3609573 |