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

Systemtic Name: 2-[[1-bromanyl-6-[[(3-butyl-1-benzofuran-2-yl)carbonyl-methyl-amino]methyl]naphthalen-2-yl]oxymethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[[1-bromo-6-[[(3-butylbenzofuran-2-carbonyl)-methyl-amino]methyl]-2-naphthyl]oxy]propanoic acid CAS Name: 2-[[1-bromo-6-[[[(3-butyl-2-benzofuranyl)-oxomethyl]-methylamino]methyl]-2-naphthalenyl]oxymethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[1-bromo-6-[[(3-butyl-1-benzofuran-2-carbonyl)-methylamino]methyl]naphthalen-2-yl]oxypropanoic acid Traditional Name: 2-benzyl-3-[1-bromo-6-[[(3-butylbenzofuran-2-carbonyl)-methyl-amino]methyl]-2-naphthoxy]propionic acid Formula: C35H34BrNO5 MolecularWeight: 628.55216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(OC2=CC=CC=C21)C(=O)N(C)CC3=CC4=C(C=C3)C(=C(C=C4)OCC(CC5=CC=CC=C5)C(=O)O)Br

Isomeric SMILES

CCCCC1=C(OC2=CC=CC=C21)C(=O)N(C)CC3=CC4=C(C=C3)C(=C(C=C4)OCC(CC5=CC=CC=C5)C(=O)O)Br

InChI

InChI=1S/C35H34BrNO5/c1-3-4-12-29-28-13-8-9-14-30(28)42-33(29)34(38)37(2)21-24-15-17-27-25(20-24)16-18-31(32(27)36)41-22-26(35(39)40)19-23-10-6-5-7-11-23/h5-11,13-18,20,26H,3-4,12,19,21-22H2,1-2H3,(H,39,40)