2-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]phenyl]carbonyl-methyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]phenyl]carbonyl-methyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]benzoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[4-[(2-butyl-3-benzofuranyl)methyl]phenyl]phenyl]-oxomethyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[4-[(2-butyl-1-benzofuran-3-yl)methyl]phenyl]benzoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[4-[(2-butylbenzofuran-3-yl)methyl]phenyl]benzoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C36H35NO4 MolecularWeight: 545.6674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N(C)C(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)N(C)C(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C36H35NO4/c1-3-4-13-34-31(30-12-8-9-14-33(30)41-34)23-26-15-17-27(18-16-26)28-19-21-29(22-20-28)35(38)37(2)32(36(39)40)24-25-10-6-5-7-11-25/h5-12,14-22,32H,3-4,13,23-24H2,1-2H3,(H,39,40)