ethanedioic acid; ethyl 4-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[1-(3-ethoxy-4-hydroxy-benzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C24H35N3O9 MolecularWeight: 509.5494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OCC)O.C(=O)(C(=O)O)O

InChI

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