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

Systemtic Name: 1-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid Openeye Name: 1-[(2-benzyloxy-5-bromo-phenyl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid CAS Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-(trifluoromethyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-[(5-bromo-2-phenylmethoxyphenyl)methyl]-4-(trifluoromethyl)pyrazole-3-carboxylic acid Traditional Name: 1-(2-benzoxy-5-bromo-benzyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid Formula: C19H14BrF3N2O3 MolecularWeight: 455.22527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C=C(C(=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN3C=C(C(=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H14BrF3N2O3/c20-14-6-7-16(28-11-12-4-2-1-3-5-12)13(8-14)9-25-10-15(19(21,22)23)17(24-25)18(26)27/h1-8,10H,9,11H2,(H,26,27)