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

Systemtic Name: 3-[3-[[1-(6-chloranyl-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethyloxy)indol-3-yl]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)-3-indolyl]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[1-(6-chloroindoxazen-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]methyl]phenyl]propionic acid Formula: C27H20ClF3N2O4 MolecularWeight: 528.90691

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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)CCC(=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)CCC(=O)O

InChI

InChI=1S/C27H20ClF3N2O4/c1-15-21(12-17-4-2-3-16(11-17)5-10-25(34)35)22-14-19(36-27(29,30)31)7-9-23(22)33(15)26-20-8-6-18(28)13-24(20)37-32-26/h2-4,6-9,11,13-14H,5,10,12H2,1H3,(H,34,35)