1-(6-methylpyridin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-methylpyridin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(5-benzyloxy-2-pyridyl)-1-(6-methyl-3-pyridyl)pyrazole-3-carboxylic acid CAS Name: 1-(6-methyl-3-pyridinyl)-5-(5-phenylmethoxy-2-pyridinyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(6-methylpyridin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(5-benzoxy-2-pyridyl)-1-(6-methyl-3-pyridyl)pyrazole-3-carboxylic acid Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=NC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=NC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O3/c1-15-7-8-17(12-23-15)26-21(11-20(25-26)22(27)28)19-10-9-18(13-24-19)29-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,28)