3-[[4-[[[4-(trifluoromethyloxy)phenyl]-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[4-(trifluoromethyloxy)phenyl]-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(trifluoromethoxy)-N-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]anilino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[4-(trifluoromethoxy)-N-[4-[4-(trifluoromethyl)phenyl]-2-thiazolyl]anilino]methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(trifluoromethoxy)-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]anilino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(trifluoromethoxy)-N-[4-[4-(trifluoromethyl)phenyl]thiazol-2-yl]anilino]methyl]benzoyl]amino]propionic acid Formula: C28H21F6N3O4S MolecularWeight: 609.539459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(C2=CC=C(C=C2)OC(F)(F)F)C3=NC(=CS3)C4=CC=C(C=C4)C(F)(F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN(C2=CC=C(C=C2)OC(F)(F)F)C3=NC(=CS3)C4=CC=C(C=C4)C(F)(F)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C28H21F6N3O4S/c29-27(30,31)20-7-5-18(6-8-20)23-16-42-26(36-23)37(21-9-11-22(12-10-21)41-28(32,33)34)15-17-1-3-19(4-2-17)25(40)35-14-13-24(38)39/h1-12,16H,13-15H2,(H,35,40)(H,38,39)