2-[4-bromanyl-6-[3-(3-methylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanoic acid

Systemtic Name: 2-[4-bromanyl-6-[3-(3-methylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanoic acid Openeye Name: 2-[[4-bromo-6-[3-(3-methylbutanoyl)benzofuran-2-yl]-2-naphthyl]oxy]acetic acid CAS Name: 2-[[4-bromo-6-[3-(3-methyl-1-oxobutyl)-2-benzofuranyl]-2-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[4-bromo-6-[3-(3-methylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyacetic acid Traditional Name: 2-[4-bromo-6-(3-isovalerylbenzofuran-2-yl)-2-naphthoxy]acetic acid Formula: C25H21BrO5 MolecularWeight: 481.33524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C(C=C4C=C3)OCC(=O)O)Br

Isomeric SMILES

CC(C)CC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C(C=C4C=C3)OCC(=O)O)Br

InChI

InChI=1S/C25H21BrO5/c1-14(2)9-21(27)24-18-5-3-4-6-22(18)31-25(24)16-8-7-15-10-17(30-13-23(28)29)12-20(26)19(15)11-16/h3-8,10-12,14H,9,13H2,1-2H3,(H,28,29)