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

Systemtic Name: 4-[[4-[4-[2-[4-chloranyl-2-(3-chloranyl-5-cyano-phenyl)carbonyl-phenoxy]ethanoylamino]-2-fluoranyl-3-methyl-phenyl]-2-methyl-but-3-yn-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[4-[[2-[4-chloro-2-(3-chloro-5-cyano-benzoyl)phenoxy]acetyl]amino]-2-fluoro-3-methyl-phenyl]-1,1-dimethyl-prop-2-ynyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-[4-[[2-[4-chloro-2-[(3-chloro-5-cyanophenyl)-oxomethyl]phenoxy]-1-oxoethyl]amino]-2-fluoro-3-methylphenyl]-2-methylbut-3-yn-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[4-[[2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]acetyl]amino]-2-fluoro-3-methylphenyl]-2-methylbut-3-yn-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[4-[[2-[4-chloro-2-(3-chloro-5-cyano-benzoyl)phenoxy]acetyl]amino]-2-fluoro-3-methyl-phenyl]-1,1-dimethyl-prop-2-ynyl]amino]-4-keto-butyric acid Formula: C32H26Cl2FN3O6 MolecularWeight: 638.469743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H26Cl2FN3O6/c1-18-25(6-4-20(30(18)35)10-11-32(2,3)38-27(39)8-9-29(41)42)37-28(40)17-44-26-7-5-22(33)15-24(26)31(43)21-12-19(16-36)13-23(34)14-21/h4-7,12-15H,8-9,17H2,1-3H3,(H,37,40)(H,38,39)(H,41,42)