ethanedioic acid; ethyl 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[1-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[1-(2,5-dimethoxybenzyl)isonipecotoyl]isonipecotic acid ethyl ester; oxalic acid Formula: C25H36N2O9 MolecularWeight: 508.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(C=CC(=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(C=CC(=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H34N2O5.C2H2O4/c1-4-30-23(27)18-9-13-25(14-10-18)22(26)17-7-11-24(12-8-17)16-19-15-20(28-2)5-6-21(19)29-3;3-1(4)2(5)6/h5-6,15,17-18H,4,7-14,16H2,1-3H3;(H,3,4)(H,5,6)