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

Systemtic Name: 2-[1-bromanyl-6-[(2-butyl-1-benzofuran-3-yl)carbonylamino]naphthalen-2-yl]oxy-3-phenyl-propanoic acid Openeye Name: 2-[[1-bromo-6-[(2-butylbenzofuran-3-carbonyl)amino]-2-naphthyl]oxy]-3-phenyl-propanoic acid CAS Name: 2-[[1-bromo-6-[[(2-butyl-3-benzofuranyl)-oxomethyl]amino]-2-naphthalenyl]oxy]-3-phenylpropanoic acid IUPAC Name: 2-[1-bromo-6-[(2-butyl-1-benzofuran-3-carbonyl)amino]naphthalen-2-yl]oxy-3-phenylpropanoic acid Traditional Name: 2-[1-bromo-6-[(2-butylbenzofuran-3-carbonyl)amino]-2-naphthoxy]-3-phenyl-propionic acid Formula: C32H28BrNO5 MolecularWeight: 586.47242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)NC3=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)C(=O)NC3=CC4=C(C=C3)C(=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O)Br

InChI

InChI=1S/C32H28BrNO5/c1-2-3-12-26-29(24-11-7-8-13-25(24)38-26)31(35)34-22-15-16-23-21(19-22)14-17-27(30(23)33)39-28(32(36)37)18-20-9-5-4-6-10-20/h4-11,13-17,19,28H,2-3,12,18H2,1H3,(H,34,35)(H,36,37)