diethyl 2-acetamido-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[4-(3-methylbenzyl)piperazino]methyl]malonic acid diethyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN1CCN(CC1)CC2=CC=CC(=C2)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CN1CCN(CC1)CC2=CC=CC(=C2)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H33N3O5/c1-5-29-20(27)22(23-18(4)26,21(28)30-6-2)16-25-12-10-24(11-13-25)15-19-9-7-8-17(3)14-19/h7-9,14H,5-6,10-13,15-16H2,1-4H3,(H,23,26)