4-[3-chloranyl-5-[4-(2-chloranyl-4-methyl-phenyl)butanoylamino]-2-ethyl-4-oxidanyl-phenoxy]butanoic acid

Systemtic Name: 4-[3-chloranyl-5-[4-(2-chloranyl-4-methyl-phenyl)butanoylamino]-2-ethyl-4-oxidanyl-phenoxy]butanoic acid Openeye Name: 4-[3-chloro-5-[4-(2-chloro-4-methyl-phenyl)butanoylamino]-2-ethyl-4-hydroxy-phenoxy]butanoic acid CAS Name: 4-[3-chloro-5-[[4-(2-chloro-4-methylphenyl)-1-oxobutyl]amino]-2-ethyl-4-hydroxyphenoxy]butanoic acid IUPAC Name: 4-[3-chloro-5-[4-(2-chloro-4-methylphenyl)butanoylamino]-2-ethyl-4-hydroxyphenoxy]butanoic acid Traditional Name: 4-[3-chloro-5-[4-(2-chloro-4-methyl-phenyl)butanoylamino]-2-ethyl-4-hydroxy-phenoxy]butyric acid Formula: C23H27Cl2NO5 MolecularWeight: 468.37018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1Cl)O)NC(=O)CCCC2=C(C=C(C=C2)C)Cl)OCCCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1Cl)O)NC(=O)CCCC2=C(C=C(C=C2)C)Cl)OCCCC(=O)O

InChI

InChI=1S/C23H27Cl2NO5/c1-3-16-19(31-11-5-8-21(28)29)13-18(23(30)22(16)25)26-20(27)7-4-6-15-10-9-14(2)12-17(15)24/h9-10,12-13,30H,3-8,11H2,1-2H3,(H,26,27)(H,28,29)