(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C22H18FN3O3 MolecularWeight: 391.395023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O3/c1-13(2)21-25-20(29-26-21)12-28-22(27)17-11-19(14-7-9-15(23)10-8-14)24-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3