3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[2-[4-(trifluoromethyl)phenyl]carbonylphenyl]amino]propanoic acid

Systemtic Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[[2-[4-(trifluoromethyl)phenyl]carbonylphenyl]amino]propanoic acid Openeye Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-[4-(trifluoromethyl)benzoyl]anilino]propanoic acid CAS Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-[oxo-[4-(trifluoromethyl)phenyl]methyl]anilino]propanoic acid IUPAC Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-[4-(trifluoromethyl)benzoyl]anilino]propanoic acid Traditional Name: 3-[4-[2-[1,3-benzoxazol-2-yl(methyl)amino]ethoxy]phenyl]-2-[2-[4-(trifluoromethyl)benzoyl]anilino]propionic acid Formula: C33H28F3N3O5 MolecularWeight: 603.58773

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(=O)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C33H28F3N3O5/c1-39(32-38-27-8-4-5-9-29(27)44-32)18-19-43-24-16-10-21(11-17-24)20-28(31(41)42)37-26-7-3-2-6-25(26)30(40)22-12-14-23(15-13-22)33(34,35)36/h2-17,28,37H,18-20H2,1H3,(H,41,42)