1-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(4-fluorobenzyl)oxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C19H16BrFN2O3 MolecularWeight: 419.244343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H16BrFN2O3/c1-12-8-17(19(24)25)22-23(12)10-14-9-15(20)4-7-18(14)26-11-13-2-5-16(21)6-3-13/h2-9H,10-11H2,1H3,(H,24,25)