diethyl 2-methyl-2-[4-[4-(phenylmethyl)piperazin-1-yl]butyl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[4-[4-(phenylmethyl)piperazin-1-yl]butyl]propanedioate Openeye Name: diethyl 2-[4-(4-benzylpiperazin-1-yl)butyl]-2-methyl-propanedioate CAS Name: 2-methyl-2-[4-[4-(phenylmethyl)-1-piperazinyl]butyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(4-benzylpiperazin-1-yl)butyl]-2-methylpropanedioate Traditional Name: 2-[4-(4-benzylpiperazino)butyl]-2-methyl-malonic acid diethyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCCCN1CCN(CC1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(CCCCN1CCN(CC1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H36N2O4/c1-4-28-21(26)23(3,22(27)29-5-2)13-9-10-14-24-15-17-25(18-16-24)19-20-11-7-6-8-12-20/h6-8,11-12H,4-5,9-10,13-19H2,1-3H3