2-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxycarbonylbenzoic acid Openeye Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxycarbonylbenzoic acid CAS Name: 2-[[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]oxycarbonylbenzoic acid Traditional Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]oxycarbonylbenzoic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC(=O)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC(=O)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C18H16N4O4/c1-10-8-11(2)20-18(19-10)22-15(9-12(3)21-22)26-17(25)14-7-5-4-6-13(14)16(23)24/h4-9H,1-3H3,(H,23,24)