ethanedioic acid; ethyl 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[1-[(4-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-[1-(4-fluorobenzyl)isonipecotoyl]isonipecotic acid ethyl ester; oxalic acid Formula: C23H31FN2O7 MolecularWeight: 466.499843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H29FN2O3.C2H2O4/c1-2-27-21(26)18-9-13-24(14-10-18)20(25)17-7-11-23(12-8-17)15-16-3-5-19(22)6-4-16;3-1(4)2(5)6/h3-6,17-18H,2,7-15H2,1H3;(H,3,4)(H,5,6)