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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C(F)(F)F

Isomeric SMILES

CCCCC1=CNC2=C1C=C(C=C2)OC3=C(C=C(C=C3Br)CC(=O)O)C(F)(F)F

InChI

InChI=1S/C21H19BrF3NO3/c1-2-3-4-13-11-26-18-6-5-14(10-15(13)18)29-20-16(21(23,24)25)7-12(8-17(20)22)9-19(27)28/h5-8,10-11,26H,2-4,9H2,1H3,(H,27,28)