(E)-3-[3-[4-(phenylmethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[4-(phenylmethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-benzylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-[4-(phenylmethyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-benzylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-benzylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acrylic acid Formula: C26H19F3N2O2 MolecularWeight: 448.43647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=NN(C=C3C=CC(=O)O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=NN(C=C3/C=C/C(=O)O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H19F3N2O2/c27-26(28,29)22-7-4-8-23(16-22)31-17-21(13-14-24(32)33)25(30-31)20-11-9-19(10-12-20)15-18-5-2-1-3-6-18/h1-14,16-17H,15H2,(H,32,33)/b14-13+