ethanedioic acid; ethyl 4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-[(4-ethylphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[1-(4-ethylbenzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C24H35N3O7 MolecularWeight: 477.5506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H33N3O3.C2H2O4/c1-3-18-5-7-19(8-6-18)17-23-11-9-20(10-12-23)21(26)24-13-15-25(16-14-24)22(27)28-4-2;3-1(4)2(5)6/h5-8,20H,3-4,9-17H2,1-2H3;(H,3,4)(H,5,6)