2-[4-[4-(2-bromanyl-1-benzofuran-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[4-(2-bromanyl-1-benzofuran-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-(2-bromobenzofuran-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[4-(2-bromo-3-benzofuranyl)phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-(2-bromo-1-benzofuran-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-(2-bromobenzofuran-3-yl)phenyl]phenoxy]-3-phenyl-propionic acid Formula: C29H21BrO4 MolecularWeight: 513.37864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(OC5=CC=CC=C54)Br

InChI

InChI=1S/C29H21BrO4/c30-28-27(24-8-4-5-9-25(24)34-28)22-12-10-20(11-13-22)21-14-16-23(17-15-21)33-26(29(31)32)18-19-6-2-1-3-7-19/h1-17,26H,18H2,(H,31,32)