ethyl 2-(2-methylpropoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzoate

Systemtic Name: ethyl 2-(2-methylpropoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzoate Openeye Name: ethyl 2-isobutoxy-5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]benzoate CAS Name: 2-(2-methylpropoxy)-5-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-(2-methylpropoxy)-5-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]benzoate Traditional Name: 2-isobutoxy-5-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]benzoic acid ethyl ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2=NNC(=N2)C3=CC(=NC=C3)C)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C2=NNC(=N2)C3=CC(=NC=C3)C)OCC(C)C

InChI

InChI=1S/C21H24N4O3/c1-5-27-21(26)17-11-15(6-7-18(17)28-12-13(2)3)19-23-20(25-24-19)16-8-9-22-14(4)10-16/h6-11,13H,5,12H2,1-4H3,(H,23,24,25)