2-[3-chloranyl-5-[2-(2,4-ditert-butylphenoxy)butanoylamino]-2-methyl-4-oxidanyl-phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-chloranyl-5-[2-(2,4-ditert-butylphenoxy)butanoylamino]-2-methyl-4-oxidanyl-phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[3-chloro-5-[2-(2,4-ditert-butylphenoxy)butanoylamino]-4-hydroxy-2-methyl-phenoxy]-2-phenyl-acetic acid CAS Name: 2-[3-chloro-5-[[2-(2,4-ditert-butylphenoxy)-1-oxobutyl]amino]-4-hydroxy-2-methylphenoxy]-2-phenylacetic acid IUPAC Name: 2-[3-chloro-5-[2-(2,4-ditert-butylphenoxy)butanoylamino]-4-hydroxy-2-methylphenoxy]-2-phenylacetic acid Traditional Name: 2-[3-chloro-5-[2-(2,4-ditert-butylphenoxy)butanoylamino]-4-hydroxy-2-methyl-phenoxy]-2-phenyl-acetic acid Formula: C33H40ClNO6 MolecularWeight: 582.1268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C(=C1O)Cl)C)OC(C2=CC=CC=C2)C(=O)O)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C(=C1O)Cl)C)OC(C2=CC=CC=C2)C(=O)O)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C33H40ClNO6/c1-9-24(40-25-16-15-21(32(3,4)5)17-22(25)33(6,7)8)30(37)35-23-18-26(19(2)27(34)28(23)36)41-29(31(38)39)20-13-11-10-12-14-20/h10-18,24,29,36H,9H2,1-8H3,(H,35,37)(H,38,39)