3-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]propanoic acid Traditional Name: 3-[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]propionic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C19H16N2O4/c22-18(23)9-7-14-11-21(15-4-2-1-3-5-15)20-19(14)13-6-8-16-17(10-13)25-12-24-16/h1-6,8,10-11H,7,9,12H2,(H,22,23)