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CHEBI:47184 - (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID
| Formula | C33H33ClF3NO3 |
| Net Charge | 0 |
| Average Mass | 584.078 |
| Monoisotopic Mass | 583.21011 |
| SMILES | [H]OC(=O)C([H])([H])c1c([H])c([H])c([H])c(OC([H])([H])C([H])([H])C([H])([H])N(C([H])([H])c2c([H])c([H])c([H])c(C(F)(F)F)c2Cl)C([H])([H])[C@@]([H])(c2c([H])c([H])c([H])c([H])c2[H])[C@@]2([H])C([H])=C([H])C([H])=C([H])C2([H])[H])c1[H] |
| InChI | InChI=1S/C33H33ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-13,15-17,20,26,29H,9,14,18-19,21-23H2,(H,39,40)/t26-,29-/m0/s1 |
| InChIKey | TTYSVMYFKWDORN-WNJJXGMVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID (CHEBI:47184) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (3-{3-[[2-CHLORO-3-(TRIFLUOROMETHYL)BENZYL](2,2-DIPHENYLETHYL)AMINO]PROPOXY}PHENYL)ACETIC ACID | PDBeChem |
| {3-[3-([2-chloro-3-(trifluoromethyl)benzyl]{(2R)-2-[(1R)-cyclohexa-2,4-dien-1-yl]-2-phenylethyl}amino)propoxy]phenyl}acetic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 965 | PDBeChem |