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

Systemtic Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-cyclohexylphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C24H24N2O2 MolecularWeight: 372.45956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NN(C=C3C=CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NN(C=C3/C=C/C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2/c27-23(28)16-15-21-17-26(22-9-5-2-6-10-22)25-24(21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2,(H,27,28)/b16-15+