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

Systemtic Name: 4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]phenyl]-2-methyl-2-oxidanyl-but-3-ynoic acid Openeye Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2-hydroxy-2-methyl-but-3-ynoic acid CAS Name: 4-[3-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]phenyl]-2-hydroxy-2-methyl-3-butynoic acid IUPAC Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2-hydroxy-2-methylbut-3-ynoic acid Traditional Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2-hydroxy-2-methyl-but-3-ynoic acid Formula: C27H17Cl2F4NO6 MolecularWeight: 598.326593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H17Cl2F4NO6/c1-26(39,25(37)38)7-6-14-2-4-21(20(29)8-14)34-23(35)13-40-22-5-3-17(28)12-19(22)24(36)15-9-16(27(31,32)33)11-18(30)10-15/h2-5,8-12,39H,13H2,1H3,(H,34,35)(H,37,38)