4-[5-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)-3-pyrazolyl]benzoic acid IUPAC Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid Formula: C23H15FN2O4 MolecularWeight: 402.374603

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3C4=CC=CC=C4F)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NN3C4=CC=CC=C4F)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C23H15FN2O4/c24-17-3-1-2-4-19(17)26-20(16-9-10-21-22(11-16)30-13-29-21)12-18(25-26)14-5-7-15(8-6-14)23(27)28/h1-12H,13H2,(H,27,28)