3-[5-(3,4-dimethoxyphenyl)-2-methoxycarbonyl-pyrazol-3-yl]propanoic acid

Systemtic Name: 3-[5-(3,4-dimethoxyphenyl)-2-methoxycarbonyl-pyrazol-3-yl]propanoic acid Openeye Name: 3-[5-(3,4-dimethoxyphenyl)-2-methoxycarbonyl-pyrazol-3-yl]propanoic acid CAS Name: 3-[5-(3,4-dimethoxyphenyl)-2-methoxycarbonyl-3-pyrazolyl]propanoic acid IUPAC Name: 3-[5-(3,4-dimethoxyphenyl)-2-methoxycarbonylpyrazol-3-yl]propanoic acid Traditional Name: 3-[2-carbomethoxy-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]propionic acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=C2)CCC(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=C2)CCC(=O)O)C(=O)OC)OC

InChI

InChI=1S/C16H18N2O6/c1-22-13-6-4-10(8-14(13)23-2)12-9-11(5-7-15(19)20)18(17-12)16(21)24-3/h4,6,8-9H,5,7H2,1-3H3,(H,19,20)