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

Systemtic Name: ethanedioic acid; methyl 1-[3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-4-piperidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 1-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-(2-hydroxy-3-p-anisyloxy-propyl)isonipecotic acid methyl ester; oxalic acid Formula: C20H29NO9 MolecularWeight: 427.44556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COCC(CN2CCC(CC2)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)COCC(CN2CCC(CC2)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO5.C2H2O4/c1-22-17-5-3-14(4-6-17)12-24-13-16(20)11-19-9-7-15(8-10-19)18(21)23-2;3-1(4)2(5)6/h3-6,15-16,20H,7-13H2,1-2H3;(H,3,4)(H,5,6)