3-[5,5,5-tris(fluoranyl)-2-methyl-4-oxidanyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol

Systemtic Name: 3-[5,5,5-tris(fluoranyl)-2-methyl-4-oxidanyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol Openeye Name: 3-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(4-quinolylmethyl)butyl]phenol CAS Name: 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(4-quinolinylmethyl)pentan-2-yl]phenol IUPAC Name: 3-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol Traditional Name: 3-[4,4,4-trifluoro-3-hydroxy-1,1-dimethyl-3-(4-quinolylmethyl)butyl]phenol Formula: C22H22F3NO2 MolecularWeight: 389.41079

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=CC(=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3NO2/c1-20(2,16-6-5-7-17(27)12-16)14-21(28,22(23,24)25)13-15-10-11-26-19-9-4-3-8-18(15)19/h3-12,27-28H,13-14H2,1-2H3