diethyl 2-[1-ethoxy-2-(5-oxidanylpyridin-2-yl)-2-phenyl-ethyl]propanedioate

Systemtic Name: diethyl 2-[1-ethoxy-2-(5-oxidanylpyridin-2-yl)-2-phenyl-ethyl]propanedioate Openeye Name: diethyl 2-[1-ethoxy-2-(5-hydroxy-2-pyridyl)-2-phenyl-ethyl]propanedioate CAS Name: 2-[1-ethoxy-2-(5-hydroxy-2-pyridinyl)-2-phenylethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-ethoxy-2-(5-hydroxypyridin-2-yl)-2-phenylethyl]propanedioate Traditional Name: 2-[1-ethoxy-2-(5-hydroxy-2-pyridyl)-2-phenyl-ethyl]malonic acid diethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC=CC=C1)C2=NC=C(C=C2)O)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(C(C1=CC=CC=C1)C2=NC=C(C=C2)O)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C22H27NO6/c1-4-27-20(19(21(25)28-5-2)22(26)29-6-3)18(15-10-8-7-9-11-15)17-13-12-16(24)14-23-17/h7-14,18-20,24H,4-6H2,1-3H3