2-[1-bromanyl-6-[3-(3,3-dimethylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanoic acid

Systemtic Name: 2-[1-bromanyl-6-[3-(3,3-dimethylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyethanoic acid Openeye Name: 2-[[1-bromo-6-[3-(3,3-dimethylbutanoyl)benzofuran-2-yl]-2-naphthyl]oxy]acetic acid CAS Name: 2-[[1-bromo-6-[3-(3,3-dimethyl-1-oxobutyl)-2-benzofuranyl]-2-naphthalenyl]oxy]acetic acid IUPAC Name: 2-[1-bromo-6-[3-(3,3-dimethylbutanoyl)-1-benzofuran-2-yl]naphthalen-2-yl]oxyacetic acid Traditional Name: 2-[1-bromo-6-[3-(3,3-dimethylbutanoyl)benzofuran-2-yl]-2-naphthoxy]acetic acid Formula: C26H23BrO5 MolecularWeight: 495.36182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

Isomeric SMILES

CC(C)(C)CC(=O)C1=C(OC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC(=O)O)Br

InChI

InChI=1S/C26H23BrO5/c1-26(2,3)13-19(28)23-18-6-4-5-7-20(18)32-25(23)16-8-10-17-15(12-16)9-11-21(24(17)27)31-14-22(29)30/h4-12H,13-14H2,1-3H3,(H,29,30)