3-[3-bromanyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-[3-bromanyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[3-bromo-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[3-bromo-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[3-bromo-4-[(3-isopropyl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)phenyl]propionic acid Formula: C21H19BrF3NO3 MolecularWeight: 470.27967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CCC(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)C1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C21H19BrF3NO3/c1-11(2)15-10-26-18-5-4-13(9-14(15)18)29-20-16(21(23,24)25)7-12(8-17(20)22)3-6-19(27)28/h4-5,7-11,26H,3,6H2,1-2H3,(H,27,28)