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

Systemtic Name: 2-[3,5-dimethyl-4-[[3-(4-nitrophenyl)-4-oxidanyl-5-propan-2-yl-phenyl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-hydroxy-3-isopropyl-5-(4-nitrophenyl)phenyl]methyl]-3,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[[4-hydroxy-3-(4-nitrophenyl)-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[[4-hydroxy-3-(4-nitrophenyl)-5-propan-2-ylphenyl]methyl]-3,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[4-hydroxy-3-isopropyl-5-(4-nitrophenyl)benzyl]-3,5-dimethyl-phenoxy]acetic acid Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])O)C(C)C)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])O)C(C)C)C)OCC(=O)O

InChI

InChI=1S/C26H27NO6/c1-15(2)22-11-18(12-23-16(3)9-21(10-17(23)4)33-14-25(28)29)13-24(26(22)30)19-5-7-20(8-6-19)27(31)32/h5-11,13,15,30H,12,14H2,1-4H3,(H,28,29)