ethanedioic acid; ethyl 4-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(5-methyl-2-furyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-[(5-methylfuran-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[1-[(5-methyl-2-furyl)methyl]isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C21H31N3O8 MolecularWeight: 453.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(O3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(O3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O4.C2H2O4/c1-3-25-19(24)22-12-10-21(11-13-22)18(23)16-6-8-20(9-7-16)14-17-5-4-15(2)26-17;3-1(4)2(5)6/h4-5,16H,3,6-14H2,1-2H3;(H,3,4)(H,5,6)