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

Systemtic Name: 4-[[4-[4-[2-[2-(3-bromanyl-5-chloranyl-phenyl)carbonyl-4-chloranyl-phenoxy]ethanoylamino]-3-chloranyl-2-fluoranyl-phenyl]-2-methyl-but-3-yn-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[4-[[2-[2-(3-bromo-5-chloro-benzoyl)-4-chloro-phenoxy]acetyl]amino]-3-chloro-2-fluoro-phenyl]-1,1-dimethyl-prop-2-ynyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-[4-[[2-[2-[(3-bromo-5-chlorophenyl)-oxomethyl]-4-chlorophenoxy]-1-oxoethyl]amino]-3-chloro-2-fluorophenyl]-2-methylbut-3-yn-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-[4-[[2-[2-(3-bromo-5-chlorobenzoyl)-4-chlorophenoxy]acetyl]amino]-3-chloro-2-fluorophenyl]-2-methylbut-3-yn-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[4-[[2-[2-(3-bromo-5-chloro-benzoyl)-4-chloro-phenoxy]acetyl]amino]-3-chloro-2-fluoro-phenyl]-1,1-dimethyl-prop-2-ynyl]amino]-4-keto-butyric acid Formula: C30H23BrCl3FN2O6 MolecularWeight: 712.774823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C(C(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)Br)Cl)Cl)F)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C#CC1=C(C(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)Br)Cl)Cl)F)NC(=O)CCC(=O)O

InChI

InChI=1S/C30H23BrCl3FN2O6/c1-30(2,37-24(38)7-8-26(40)41)10-9-16-3-5-22(27(34)28(16)35)36-25(39)15-43-23-6-4-19(32)14-21(23)29(42)17-11-18(31)13-20(33)12-17/h3-6,11-14H,7-8,15H2,1-2H3,(H,36,39)(H,37,38)(H,40,41)