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

Systemtic Name: ethanedioic acid; methyl 3-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzoate Openeye Name: methyl 3-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 3-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 3-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]benzoic acid methyl ester; oxalic acid Formula: C24H30N2O8 MolecularWeight: 474.5036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O4.C2H2O4/c1-27-22(26)19-8-5-9-21(14-19)28-17-20(25)16-24-12-10-23(11-13-24)15-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-9,14,20,25H,10-13,15-17H2,1H3;(H,3,4)(H,5,6)