2-[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid

Systemtic Name: 2-[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)methyl]naphthalen-2-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[1-bromo-6-[(2-butylbenzofuran-3-yl)methyl]-2-naphthyl]oxy]-3-phenyl-propanoic acid CAS Name: 2-[[1-bromo-6-[(2-butyl-3-benzofuranyl)methyl]-2-naphthalenyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[1-bromo-6-[(2-butyl-1-benzofuran-3-yl)methyl]naphthalen-2-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[1-bromo-6-[(2-butylbenzofuran-3-yl)methyl]-2-naphthoxy]-3-phenyl-propionic acid Formula: C32H29BrO4 MolecularWeight: 557.47426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)Br

InChI

InChI=1S/C32H29BrO4/c1-2-3-12-28-26(25-11-7-8-13-27(25)36-28)19-22-14-16-24-23(18-22)15-17-29(31(24)33)37-30(32(34)35)20-21-9-5-4-6-10-21/h4-11,13-18,30H,2-3,12,19-20H2,1H3,(H,34,35)