1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-butyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-5-butyl-pyrazole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-5-butyl-pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-butyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-5-butylpyrazole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-5-butyl-pyrazole-3-carboxylic acid Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=NN1CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23BrN2O3/c1-2-3-9-19-13-20(22(26)27)24-25(19)14-17-12-18(23)10-11-21(17)28-15-16-7-5-4-6-8-16/h4-8,10-13H,2-3,9,14-15H2,1H3,(H,26,27)