ethanedioic acid; ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-[(2-hydroxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-[(2-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-(1-salicylisonipecotoyl)piperazine-1-carboxylic acid ethyl ester Formula: C22H31N3O8 MolecularWeight: 465.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC=C3O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=CC=C3O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N3O4.C2H2O4/c1-2-27-20(26)23-13-11-22(12-14-23)19(25)16-7-9-21(10-8-16)15-17-5-3-4-6-18(17)24;3-1(4)2(5)6/h3-6,16,24H,2,7-15H2,1H3;(H,3,4)(H,5,6)