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

Systemtic Name: 1-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[[5-bromo-2-(4-pyridylmethoxy)phenyl]methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[5-bromo-2-(4-pyridylmethoxy)benzyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O3/c1-12-8-16(18(23)24)21-22(12)10-14-9-15(19)2-3-17(14)25-11-13-4-6-20-7-5-13/h2-9H,10-11H2,1H3,(H,23,24)