ethanedioic acid; methyl 1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; methyl 1-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 1-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[3-(4-acetylphenoxy)-2-hydroxy-propyl]isonipecotic acid methyl ester; oxalic acid Formula: C20H27NO9 MolecularWeight: 425.42968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25NO5.C2H2O4/c1-13(20)14-3-5-17(6-4-14)24-12-16(21)11-19-9-7-15(8-10-19)18(22)23-2;3-1(4)2(5)6/h3-6,15-16,21H,7-12H2,1-2H3;(H,3,4)(H,5,6)