3-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]propanoic acid

Systemtic Name: 3-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]propanoic acid Openeye Name: 3-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]propanoic acid CAS Name: 3-[1-(4-bromophenyl)-3-phenyl-4-pyrazolyl]propanoic acid IUPAC Name: 3-[1-(4-bromophenyl)-3-phenylpyrazol-4-yl]propanoic acid Traditional Name: 3-[1-(4-bromophenyl)-3-phenyl-pyrazol-4-yl]propionic acid Formula: C18H15BrN2O2 MolecularWeight: 371.2279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O2/c19-15-7-9-16(10-8-15)21-12-14(6-11-17(22)23)18(20-21)13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)