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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=CC=NC2=CC=CC=C12)(C(F)(F)F)O)C3=CC=CC=C3O

Isomeric SMILES

CC(C)(CC(CC1=CC=NC2=CC=CC=C12)(C(F)(F)F)O)C3=CC=CC=C3O

InChI

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