3-[4-[[[4-[4-(trifluoromethyloxy)phenyl]thiophen-2-yl]carbonylamino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[[4-[4-(trifluoromethyloxy)phenyl]thiophen-2-yl]carbonylamino]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[[oxo-[4-[4-(trifluoromethoxy)phenyl]-2-thiophenyl]methyl]amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[[4-[4-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]amino]methyl]phenyl]propionic acid Formula: C22H18F3NO4S MolecularWeight: 449.44283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)CNC(=O)C2=CC(=CS2)C3=CC=C(C=C3)OC(F)(F)F

InChI

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