3-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]propanoic acid

Systemtic Name: 3-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]propanoic acid Openeye Name: 3-[2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]propanoic acid CAS Name: 3-[2,6-dibromo-4-[(2-butyl-3-benzofuranyl)methyl]phenoxy]propanoic acid IUPAC Name: 3-[2,6-dibromo-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]propanoic acid Traditional Name: 3-[2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]propionic acid Formula: C22H22Br2O4 MolecularWeight: 510.21568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)Br)OCCC(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)Br)OCCC(=O)O)Br

InChI

InChI=1S/C22H22Br2O4/c1-2-3-7-20-16(15-6-4-5-8-19(15)28-20)11-14-12-17(23)22(18(24)13-14)27-10-9-21(25)26/h4-6,8,12-13H,2-3,7,9-11H2,1H3,(H,25,26)