[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-pyrazol-1-ylpyridine-3-carboxylate

Systemtic Name: [1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-pyrazol-1-ylpyridine-3-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate CAS Name: 6-(1-pyrazolyl)-3-pyridinecarboxylic acid [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 6-pyrazol-1-ylpyridine-3-carboxylate Traditional Name: 6-pyrazol-1-ylnicotinic acid (2-keto-1-methyl-2-p-phenetyl-ethyl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H19N3O4/c1-3-26-17-8-5-15(6-9-17)19(24)14(2)27-20(25)16-7-10-18(21-13-16)23-12-4-11-22-23/h4-14H,3H2,1-2H3