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

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H18N2O4/c1-25-17-10-8-14(12-18(17)26-2)20-15(9-11-19(23)24)13-22(21-20)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24)