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

Systemtic Name: 2-[[5-bromanyl-2-(3-morpholin-4-ylpropoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-bromo-2-(3-morpholinopropoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-[3-(4-morpholinyl)propoxy]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-bromo-2-(3-morpholinopropoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C35H35BrN2O6 MolecularWeight: 659.5662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCOC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1COCCN1CCCOC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C35H35BrN2O6/c36-27-15-16-32(43-20-6-17-38-18-21-42-22-19-38)30(24-27)34(39)37-31(35(40)41)23-25-11-13-26(14-12-25)29-9-4-5-10-33(29)44-28-7-2-1-3-8-28/h1-5,7-16,24,31H,6,17-23H2,(H,37,39)(H,40,41)