2-[3-[[1-(6-chloranyl-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethyloxy)indol-3-yl]methyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[[1-(6-chloranyl-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethyloxy)indol-3-yl]methyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)-3-indolyl]methyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[[1-(6-chloroindoxazen-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenoxy]-2-methyl-propionic acid Formula: C28H22ClF3N2O5 MolecularWeight: 558.93289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=NOC4=C3C=CC(=C4)Cl)C=CC(=C2)OC(F)(F)F)CC5=CC(=CC=C5)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C3=NOC4=C3C=CC(=C4)Cl)C=CC(=C2)OC(F)(F)F)CC5=CC(=CC=C5)OC(C)(C)C(=O)O

InChI

InChI=1S/C28H22ClF3N2O5/c1-15-21(12-16-5-4-6-18(11-16)37-27(2,3)26(35)36)22-14-19(38-28(30,31)32)8-10-23(22)34(15)25-20-9-7-17(29)13-24(20)39-33-25/h4-11,13-14H,12H2,1-3H3,(H,35,36)