4-bromanyl-2-[5,5,5-tris(fluoranyl)-2-methyl-4-oxidanyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol

Systemtic Name: 4-bromanyl-2-[5,5,5-tris(fluoranyl)-2-methyl-4-oxidanyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol Openeye Name: 4-bromo-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(4-quinolylmethyl)butyl]phenol CAS Name: 4-bromo-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(4-quinolinylmethyl)pentan-2-yl]phenol IUPAC Name: 4-bromo-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol Traditional Name: 4-bromo-2-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(4-quinolylmethyl)butyl]phenol Formula: C22H21BrF3NO2 MolecularWeight: 468.30685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=CC=NC2=CC=CC=C12)(C(F)(F)F)O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC(C)(CC(CC1=CC=NC2=CC=CC=C12)(C(F)(F)F)O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C22H21BrF3NO2/c1-20(2,17-11-15(23)7-8-19(17)28)13-21(29,22(24,25)26)12-14-9-10-27-18-6-4-3-5-16(14)18/h3-11,28-29H,12-13H2,1-2H3