3-[[4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-phenyl-5-(trifluoromethyl)-2-thienyl]methoxy]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[4-phenyl-5-(trifluoromethyl)-2-thiophenyl]methoxy]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-phenyl-5-(trifluoromethyl)-2-thienyl]methoxy]benzoyl]amino]propionic acid Formula: C22H18F3NO4S MolecularWeight: 449.44283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=C2)COC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=C2)COC3=CC=C(C=C3)C(=O)NCCC(=O)O)C(F)(F)F

InChI

InChI=1S/C22H18F3NO4S/c23-22(24,25)20-18(14-4-2-1-3-5-14)12-17(31-20)13-30-16-8-6-15(7-9-16)21(29)26-11-10-19(27)28/h1-9,12H,10-11,13H2,(H,26,29)(H,27,28)