diethyl 2-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanedioate Openeye Name: diethyl 2-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanedioate CAS Name: 2-methyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanedioate Traditional Name: 2-methyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]malonic acid diethyl ester Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCN1CCN(CC1)C2=NC=CC=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(CCCCN1CCN(CC1)C2=NC=CC=N2)C(=O)OCC

InChI

InChI=1S/C20H32N4O4/c1-4-27-17(25)20(3,18(26)28-5-2)9-6-7-12-23-13-15-24(16-14-23)19-21-10-8-11-22-19/h8,10-11H,4-7,9,12-16H2,1-3H3