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

Systemtic Name: 2-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2,6-dibromo-4-(2-butylbenzofuran-3-carbonyl)phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2,6-dibromo-4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2,6-dibromo-4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2,6-dibromo-4-(2-butylbenzofuran-3-carbonyl)phenoxy]-3-phenyl-propionic acid Formula: C28H24Br2O5 MolecularWeight: 600.29516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24Br2O5/c1-2-3-12-23-25(19-11-7-8-13-22(19)34-23)26(31)18-15-20(29)27(21(30)16-18)35-24(28(32)33)14-17-9-5-4-6-10-17/h4-11,13,15-16,24H,2-3,12,14H2,1H3,(H,32,33)