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

Systemtic Name: 3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-phenyl-prop-2-enoic acid Openeye Name: 2-phenyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-phenyl-2-propenoic acid IUPAC Name: 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-phenylprop-2-enoic acid Traditional Name: 2-phenyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylic acid Formula: C25H20N2O2 MolecularWeight: 380.4385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O2/c1-18-12-14-20(15-13-18)24-21(17-27(26-24)22-10-6-3-7-11-22)16-23(25(28)29)19-8-4-2-5-9-19/h2-17H,1H3,(H,28,29)