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

Systemtic Name: 2-[[4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]phenyl]-2,2-dimethyl-but-3-ynoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2,2-dimethyl-but-3-ynoyl]-methyl-amino]acetic acid CAS Name: 2-[[4-[3-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]phenyl]-2,2-dimethyl-1-oxobut-3-ynyl]-methylamino]acetic acid IUPAC Name: 2-[[4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2,2-dimethylbut-3-ynoyl]-methylamino]acetic acid Traditional Name: 2-[[4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2,2-dimethyl-but-3-ynoyl]-methyl-amino]acetic acid Formula: C31H24Cl2F4N2O6 MolecularWeight: 667.431673

Click to see the large picture

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)N(C)CC(=O)O

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)N(C)CC(=O)O

InChI

InChI=1S/C31H24Cl2F4N2O6/c1-30(2,29(44)39(3)15-27(41)42)9-8-17-4-6-24(23(33)10-17)38-26(40)16-45-25-7-5-20(32)14-22(25)28(43)18-11-19(31(35,36)37)13-21(34)12-18/h4-7,10-14H,15-16H2,1-3H3,(H,38,40)(H,41,42)