2-[[5-bromanyl-2-[(4-phenylmethoxyphenyl)methoxy]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(4-phenylmethoxyphenyl)methoxy]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-[(4-benzyloxyphenyl)methoxy]-5-bromo-benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-bromo-2-[(4-phenylmethoxyphenyl)methoxy]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-bromo-2-[(4-phenylmethoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-(4-benzoxybenzyl)oxy-5-bromo-benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C36H30BrNO5 MolecularWeight: 636.5311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)COC3=C(C=C(C=C3)Br)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)COC3=C(C=C(C=C3)Br)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C36H30BrNO5/c37-30-17-20-34(43-24-27-13-18-31(19-14-27)42-23-26-7-3-1-4-8-26)32(22-30)35(39)38-33(36(40)41)21-25-11-15-29(16-12-25)28-9-5-2-6-10-28/h1-20,22,33H,21,23-24H2,(H,38,39)(H,40,41)