1-(6-methoxypyridin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(6-methoxypyridin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(5-benzyloxy-2-pyridyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(6-methoxy-3-pyridinyl)-5-(5-phenylmethoxy-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(6-methoxypyridin-3-yl)-5-(5-phenylmethoxypyridin-2-yl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(5-benzoxy-2-pyridyl)-1-(6-methoxy-3-pyridyl)-1,2,4-triazole-3-carboxylic acid Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=NC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=NC(=N2)C(=O)O)C3=NC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4/c1-29-18-10-7-15(11-23-18)26-20(24-19(25-26)21(27)28)17-9-8-16(12-22-17)30-13-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,27,28)