2-[[5-bromanyl-2-(3-pyridin-4-ylpropoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-(3-pyridin-4-ylpropoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-bromo-2-[3-(4-pyridyl)propoxy]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-(3-pyridin-4-ylpropoxy)phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-(3-pyridin-4-ylpropoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-bromo-2-[3-(4-pyridyl)propoxy]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C36H31BrN2O5 MolecularWeight: 651.54574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC(=C4)Br)OCCCC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC(=C4)Br)OCCCC5=CC=NC=C5

InChI

InChI=1S/C36H31BrN2O5/c37-28-16-17-33(43-22-6-7-25-18-20-38-21-19-25)31(24-28)35(40)39-32(36(41)42)23-26-12-14-27(15-13-26)30-10-4-5-11-34(30)44-29-8-2-1-3-9-29/h1-5,8-21,24,32H,6-7,22-23H2,(H,39,40)(H,41,42)