N-[4-[4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-3-methyl-phenyl]-2-methyl-but-3-yn-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[4-[4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-3-methyl-phenyl]-2-methyl-but-3-yn-2-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[3-[4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-3-methyl-phenyl]-1,1-dimethyl-prop-2-ynyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[4-[4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]-2-fluoro-3-methylphenyl]-2-methylbut-3-yn-2-yl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[4-[4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-3-methylphenyl]-2-methylbut-3-yn-2-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[3-[4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]-2-fluoro-3-methyl-phenyl]-1,1-dimethyl-prop-2-ynyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C34H25ClF5N3O5 MolecularWeight: 686.024416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1F)C#CC(C)(C)NC(=O)C2=CC=[N+](C=C2)[O-])NC(=O)COC3=C(C=C(C=C3)Cl)C(=O)C4=CC(=CC(=C4)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1F)C#CC(C)(C)NC(=O)C2=CC=[N+](C=C2)[O-])NC(=O)COC3=C(C=C(C=C3)Cl)C(=O)C4=CC(=CC(=C4)F)C(F)(F)F

InChI

InChI=1S/C34H25ClF5N3O5/c1-19-27(6-4-20(30(19)37)8-11-33(2,3)42-32(46)21-9-12-43(47)13-10-21)41-29(44)18-48-28-7-5-24(35)17-26(28)31(45)22-14-23(34(38,39)40)16-25(36)15-22/h4-7,9-10,12-17H,18H2,1-3H3,(H,41,44)(H,42,46)