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

Systemtic Name: 1-[[5-bromanyl-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(3-chlorobenzyl)oxy-benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C19H16BrClN2O3 MolecularWeight: 435.69894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrClN2O3/c1-12-7-17(19(24)25)22-23(12)10-14-9-15(20)5-6-18(14)26-11-13-3-2-4-16(21)8-13/h2-9H,10-11H2,1H3,(H,24,25)