ethanedioic acid; ethyl 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-fluorophenyl)-2-oxo-ethyl]piperidine-3-carboxylate; oxalic acid CAS Name: 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-3-carboxylate; oxalic acid Traditional Name: 1-[2-(4-fluorophenyl)-2-keto-ethyl]nipecotic acid ethyl ester; oxalic acid Formula: C18H22FNO7 MolecularWeight: 383.368183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20FNO3.C2H2O4/c1-2-21-16(20)13-4-3-9-18(10-13)11-15(19)12-5-7-14(17)8-6-12;3-1(4)2(5)6/h5-8,13H,2-4,9-11H2,1H3;(H,3,4)(H,5,6)