ethanedioate; ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethanedioate; ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalate CAS Name: 4-[[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalate IUPAC Name: ethyl 4-[1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalate Traditional Name: 4-[1-(2,4-dimethoxybenzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalate Formula: C24H33N3O9-2 MolecularWeight: 507.53352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(C=C(C=C3)OC)OC.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=C(C=C(C=C3)OC)OC.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H33N3O5.C2H2O4/c1-4-30-22(27)25-13-11-24(12-14-25)21(26)17-7-9-23(10-8-17)16-18-5-6-19(28-2)15-20(18)29-3;3-1(4)2(5)6/h5-6,15,17H,4,7-14,16H2,1-3H3;(H,3,4)(H,5,6)/p-2