(E)-3-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C21H19FN2O2 MolecularWeight: 350.386163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C=CC(=O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN(C(=C1/C=C/C(=O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H19FN2O2/c1-14(2)20-18(12-13-19(25)26)21(15-8-10-16(22)11-9-15)24(23-20)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,25,26)/b13-12+