ethanedioic acid; methyl 2-methyl-3-[4-(phenylmethyl)piperazin-1-yl]propanoate

Systemtic Name: ethanedioic acid; methyl 2-methyl-3-[4-(phenylmethyl)piperazin-1-yl]propanoate Openeye Name: methyl 3-(4-benzylpiperazin-1-yl)-2-methyl-propanoate; oxalic acid CAS Name: 2-methyl-3-[4-(phenylmethyl)-1-piperazinyl]propanoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-(4-benzylpiperazin-1-yl)-2-methylpropanoate; oxalic acid Traditional Name: 3-(4-benzylpiperazino)-2-methyl-propionic acid methyl ester; oxalic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC=CC=C2)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCN(CC1)CC2=CC=CC=C2)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O2.C2H2O4/c1-14(16(19)20-2)12-17-8-10-18(11-9-17)13-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-7,14H,8-13H2,1-2H3;(H,3,4)(H,5,6)