4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]phenyl]-2,2-dimethyl-N-morpholin-4-yl-but-3-ynamide

Systemtic Name: 4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]phenyl]-2,2-dimethyl-N-morpholin-4-yl-but-3-ynamide Openeye Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2,2-dimethyl-N-morpholino-but-3-ynamide CAS Name: 4-[3-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]phenyl]-2,2-dimethyl-N-(4-morpholinyl)-3-butynamide IUPAC Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2,2-dimethyl-N-morpholin-4-ylbut-3-ynamide Traditional Name: 4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2,2-dimethyl-N-morpholino-but-3-ynamide Formula: C32H27Cl2F4N3O5 MolecularWeight: 680.473493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)NN4CCOCC4

Isomeric SMILES

CC(C)(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)NN4CCOCC4

InChI

InChI=1S/C32H27Cl2F4N3O5/c1-31(2,30(44)40-41-9-11-45-12-10-41)8-7-19-3-5-26(25(34)13-19)39-28(42)18-46-27-6-4-22(33)17-24(27)29(43)20-14-21(32(36,37)38)16-23(35)15-20/h3-6,13-17H,9-12,18H2,1-2H3,(H,39,42)(H,40,44)