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

Systemtic Name: 2-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2,6-dibromo-4-[(2-butyl-3-benzofuranyl)methyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2,6-dibromo-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2,6-dibromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]-3-phenyl-propionic acid Formula: C28H26Br2O4 MolecularWeight: 586.31164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)Br)OC(CC4=CC=CC=C4)C(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)Br)OC(CC4=CC=CC=C4)C(=O)O)Br

InChI

InChI=1S/C28H26Br2O4/c1-2-3-12-25-21(20-11-7-8-13-24(20)33-25)14-19-15-22(29)27(23(30)16-19)34-26(28(31)32)17-18-9-5-4-6-10-18/h4-11,13,15-16,26H,2-3,12,14,17H2,1H3,(H,31,32)