ethanedioic acid; methyl 4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; methyl 4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylate; oxalic acid CAS Name: 4-(4-fluorophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate; oxalic acid Traditional Name: 4-(4-fluorophenyl)-1-methyl-nipecotic acid methyl ester; oxalic acid Formula: C16H20FNO6 MolecularWeight: 341.331503

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18FNO2.C2H2O4/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10;3-1(4)2(5)6/h3-6,12-13H,7-9H2,1-2H3;(H,3,4)(H,5,6)