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

Systemtic Name: 3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2/c1-14-8-9-16(12-15(14)2)20-17(10-11-19(23)24)13-22(21-20)18-6-4-3-5-7-18/h3-13H,1-2H3,(H,23,24)