2-[3,5-dimethyl-4-[[4-oxidanyl-3-(2-phenylethynyl)-5-propan-2-yl-phenyl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[[4-oxidanyl-3-(2-phenylethynyl)-5-propan-2-yl-phenyl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-hydroxy-3-isopropyl-5-(2-phenylethynyl)phenyl]methyl]-3,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[[4-hydroxy-3-(2-phenylethynyl)-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[[4-hydroxy-3-(2-phenylethynyl)-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[4-hydroxy-3-isopropyl-5-(2-phenylethynyl)benzyl]-3,5-dimethyl-phenoxy]acetic acid Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C#CC3=CC=CC=C3)O)C(C)C)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C#CC3=CC=CC=C3)O)C(C)C)C)OCC(=O)O

InChI

InChI=1S/C28H28O4/c1-18(2)25-15-22(14-23(28(25)31)11-10-21-8-6-5-7-9-21)16-26-19(3)12-24(13-20(26)4)32-17-27(29)30/h5-9,12-15,18,31H,16-17H2,1-4H3,(H,29,30)