4-(5-bromanyl-2-methoxy-phenyl)-1,1,1-tris(fluoranyl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol

Systemtic Name: 4-(5-bromanyl-2-methoxy-phenyl)-1,1,1-tris(fluoranyl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol Openeye Name: 4-(5-bromo-2-methoxy-phenyl)-1,1,1-trifluoro-4-methyl-2-(4-quinolylmethyl)pentan-2-ol CAS Name: 4-(5-bromo-2-methoxyphenyl)-1,1,1-trifluoro-4-methyl-2-(4-quinolinylmethyl)-2-pentanol IUPAC Name: 4-(5-bromo-2-methoxyphenyl)-1,1,1-trifluoro-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-1,1,1-trifluoro-4-methyl-2-(4-quinolylmethyl)pentan-2-ol Formula: C23H23BrF3NO2 MolecularWeight: 482.33343

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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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrF3NO2/c1-21(2,18-12-16(24)8-9-20(18)30-3)14-22(29,23(25,26)27)13-15-10-11-28-19-7-5-4-6-17(15)19/h4-12,29H,13-14H2,1-3H3