4-(3-ethyl-2-methoxy-phenyl)-1,1,1-tris(fluoranyl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol

Systemtic Name: 4-(3-ethyl-2-methoxy-phenyl)-1,1,1-tris(fluoranyl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol Openeye Name: 4-(3-ethyl-2-methoxy-phenyl)-1,1,1-trifluoro-4-methyl-2-(4-quinolylmethyl)pentan-2-ol CAS Name: 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-4-methyl-2-(4-quinolinylmethyl)-2-pentanol IUPAC Name: 4-(3-ethyl-2-methoxyphenyl)-1,1,1-trifluoro-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol Traditional Name: 4-(3-ethyl-2-methoxy-phenyl)-1,1,1-trifluoro-4-methyl-2-(4-quinolylmethyl)pentan-2-ol Formula: C25H28F3NO2 MolecularWeight: 431.49053

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)(C)CC(CC2=CC=NC3=CC=CC=C23)(C(F)(F)F)O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)(C)CC(CC2=CC=NC3=CC=CC=C23)(C(F)(F)F)O)OC

InChI

InChI=1S/C25H28F3NO2/c1-5-17-9-8-11-20(22(17)31-4)23(2,3)16-24(30,25(26,27)28)15-18-13-14-29-21-12-7-6-10-19(18)21/h6-14,30H,5,15-16H2,1-4H3