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

Systemtic Name: 2-[[4-[3-chloranyl-4-[2-[4-chloranyl-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]carbonyl-phenoxy]ethanoylamino]phenyl]-2-methyl-but-3-yn-2-yl]carbamoyl]butanoic acid Openeye Name: 2-[[3-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-1,1-dimethyl-prop-2-ynyl]carbamoyl]butanoic acid CAS Name: 2-[[[4-[3-chloro-4-[[2-[4-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]-oxomethyl]phenoxy]-1-oxoethyl]amino]phenyl]-2-methylbut-3-yn-2-yl]amino]-oxomethyl]butanoic acid IUPAC Name: 2-[[4-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-2-methylbut-3-yn-2-yl]carbamoyl]butanoic acid Traditional Name: 2-[[3-[3-chloro-4-[[2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]acetyl]amino]phenyl]-1,1-dimethyl-prop-2-ynyl]carbamoyl]butyric acid Formula: C32H26Cl2F4N2O6 MolecularWeight: 681.458253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)(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)O

Isomeric SMILES

CCC(C(=O)NC(C)(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)O

InChI

InChI=1S/C32H26Cl2F4N2O6/c1-4-22(30(44)45)29(43)40-31(2,3)10-9-17-5-7-25(24(34)11-17)39-27(41)16-46-26-8-6-20(33)15-23(26)28(42)18-12-19(32(36,37)38)14-21(35)13-18/h5-8,11-15,22H,4,16H2,1-3H3,(H,39,41)(H,40,43)(H,44,45)