ethanedioic acid; methyl 4-[6-(4-methylpiperazin-1-yl)hexoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[6-(4-methylpiperazin-1-yl)hexoxy]benzoate Openeye Name: methyl 4-[6-(4-methylpiperazin-1-yl)hexoxy]benzoate; oxalic acid CAS Name: 4-[6-(4-methyl-1-piperazinyl)hexoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[6-(4-methylpiperazin-1-yl)hexoxy]benzoate; oxalic acid Traditional Name: 4-[6-(4-methylpiperazino)hexoxy]benzoic acid methyl ester; oxalic acid Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCOC2=CC=C(C=C2)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCOC2=CC=C(C=C2)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H30N2O3.C2H2O4/c1-20-12-14-21(15-13-20)11-5-3-4-6-16-24-18-9-7-17(8-10-18)19(22)23-2;3-1(4)2(5)6/h7-10H,3-6,11-16H2,1-2H3;(H,3,4)(H,5,6)