2-[[5-bromanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C38H33BrN2O8 MolecularWeight: 725.58122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=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

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=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/C38H33BrN2O8/c1-46-33-20-25(21-34(47-2)35(33)48-3)36(42)40-30-18-17-26(39)22-29(30)37(43)41-31(38(44)45)19-23-13-15-24(16-14-23)28-11-7-8-12-32(28)49-27-9-5-4-6-10-27/h4-18,20-22,31H,19H2,1-3H3,(H,40,42)(H,41,43)(H,44,45)