4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-phenyl]-2,2-dimethyl-but-3-ynoic acid

Systemtic Name: 4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-phenyl]-2,2-dimethyl-but-3-ynoic acid Openeye Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-phenyl]-2,2-dimethyl-but-3-ynoic acid CAS Name: 4-[3-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]-2-fluorophenyl]-2,2-dimethyl-3-butynoic acid IUPAC Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluorophenyl]-2,2-dimethylbut-3-ynoic acid Traditional Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-phenyl]-2,2-dimethyl-but-3-ynoic acid Formula: C28H18Cl2F5NO5 MolecularWeight: 614.344236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F)Cl)F)C(=O)O

Isomeric SMILES

CC(C)(C#CC1=C(C(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F)Cl)F)C(=O)O

InChI

InChI=1S/C28H18Cl2F5NO5/c1-27(2,26(39)40)8-7-14-3-5-20(23(30)24(14)32)36-22(37)13-41-21-6-4-17(29)12-19(21)25(38)15-9-16(28(33,34)35)11-18(31)10-15/h3-6,9-12H,13H2,1-2H3,(H,36,37)(H,39,40)