3-[[4-[[[3,5-bis(chloranyl)phenyl]methyl-[[4-(trifluoromethyloxy)phenyl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3,5-bis(chloranyl)phenyl]methyl-[[4-(trifluoromethyloxy)phenyl]carbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(3,5-dichlorophenyl)methyl-[[4-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(3,5-dichlorophenyl)methyl-[[oxo-[4-(trifluoromethoxy)phenyl]methyl]amino]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(3,5-dichlorophenyl)methyl-[[4-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(3,5-dichlorobenzyl)-[[4-(trifluoromethoxy)benzoyl]amino]amino]methyl]benzoyl]amino]propionic acid Formula: C26H22Cl2F3N3O5 MolecularWeight: 584.37119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CC2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=CC=C(C=C3)OC(F)(F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CC2=CC(=CC(=C2)Cl)Cl)NC(=O)C3=CC=C(C=C3)OC(F)(F)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C26H22Cl2F3N3O5/c27-20-11-17(12-21(28)13-20)15-34(33-25(38)19-5-7-22(8-6-19)39-26(29,30)31)14-16-1-3-18(4-2-16)24(37)32-10-9-23(35)36/h1-8,11-13H,9-10,14-15H2,(H,32,37)(H,33,38)(H,35,36)