4-[[4-[5-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-phenyl]-2-methyl-but-3-yn-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[5-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-phenyl]-2-methyl-but-3-yn-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[5-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-phenyl]-1,1-dimethyl-prop-2-ynyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-[5-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]-2-fluorophenyl]-2-methylbut-3-yn-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[5-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluorophenyl]-2-methylbut-3-yn-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[5-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-phenyl]-1,1-dimethyl-prop-2-ynyl]amino]-4-keto-butyric acid Formula: C31H23Cl2F5N2O6 MolecularWeight: 685.422136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC(=C(C=C1F)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F)Cl)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C#CC1=CC(=C(C=C1F)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F)Cl)NC(=O)CCC(=O)O

InChI

InChI=1S/C31H23Cl2F5N2O6/c1-30(2,40-26(41)5-6-28(43)44)8-7-16-11-22(33)24(14-23(16)35)39-27(42)15-46-25-4-3-19(32)13-21(25)29(45)17-9-18(31(36,37)38)12-20(34)10-17/h3-4,9-14H,5-6,15H2,1-2H3,(H,39,42)(H,40,41)(H,43,44)