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

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[1-(4-chlorobenzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C22H30ClN3O7 MolecularWeight: 483.9425

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H28ClN3O3.C2H2O4/c1-2-27-20(26)24-13-11-23(12-14-24)19(25)17-7-9-22(10-8-17)15-16-3-5-18(21)6-4-16;3-1(4)2(5)6/h3-6,17H,2,7-15H2,1H3;(H,3,4)(H,5,6)