2-[2-bromanyl-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethyl-phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-bromanyl-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethyl-phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[2-bromo-4-(2,3-dimethylbenzo[f]benzofuran-4-yl)-6-ethyl-phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[2-bromo-4-(2,3-dimethyl-4-benzo[f]benzofuranyl)-6-ethylphenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[2-bromo-4-(2,3-dimethylbenzo[f][1]benzofuran-4-yl)-6-ethylphenoxy]-3-phenylpropanoic acid Traditional Name: 2-[2-bromo-4-(2,3-dimethylbenzo[f]benzofuran-4-yl)-6-ethyl-phenoxy]-3-phenyl-propionic acid Formula: C31H27BrO4 MolecularWeight: 543.44768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)C2=C3C(=C(OC3=CC4=CC=CC=C42)C)C)Br)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC(=C1)C2=C3C(=C(OC3=CC4=CC=CC=C42)C)C)Br)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H27BrO4/c1-4-21-15-23(16-25(32)30(21)36-27(31(33)34)14-20-10-6-5-7-11-20)29-24-13-9-8-12-22(24)17-26-28(29)18(2)19(3)35-26/h5-13,15-17,27H,4,14H2,1-3H3,(H,33,34)