ethanedioic acid; ethyl 4-[[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: ethanedioic acid; ethyl 4-[[4-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]piperidin-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidyl]methyl]benzoate; oxalic acid CAS Name: 4-[[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-1-piperidinyl]methyl]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]methyl]benzoate; oxalic acid Traditional Name: 4-[[4-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidino]methyl]benzoic acid ethyl ester; oxalic acid Formula: C28H36N2O13 MolecularWeight: 608.59104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NCC(COC3=CC=C(C=C3)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O5.2C2H2O4/c1-2-30-24(29)19-5-3-18(4-6-19)16-26-13-11-20(12-14-26)25-15-22(28)17-31-23-9-7-21(27)8-10-23;2*3-1(4)2(5)6/h3-10,20,22,25,27-28H,2,11-17H2,1H3;2*(H,3,4)(H,5,6)