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

Systemtic Name: ethanedioic acid; methyl 3-[3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 3-[3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]benzoate; oxalic acid Traditional Name: 3-[3-(4-ethylpiperazino)-2-hydroxy-propoxy]benzoic acid methyl ester; oxalic acid Formula: C19H28N2O8 MolecularWeight: 412.43422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(COC2=CC=CC(=C2)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O4.C2H2O4/c1-3-18-7-9-19(10-8-18)12-15(20)13-23-16-6-4-5-14(11-16)17(21)22-2;3-1(4)2(5)6/h4-6,11,15,20H,3,7-10,12-13H2,1-2H3;(H,3,4)(H,5,6)