ethanedioic acid; 1-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; 1-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-isopentyl-piperidine-4-carboxamide; oxalic acid CAS Name: 1-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)-4-piperidinecarboxamide; oxalic acid IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide; oxalic acid Traditional Name: 1-(2-fluorobenzyl)-N-isoamyl-isonipecotamide; oxalic acid Formula: C20H29FN2O5 MolecularWeight: 396.453063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)CC2=CC=CC=C2F.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)CC2=CC=CC=C2F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27FN2O.C2H2O4/c1-14(2)7-10-20-18(22)15-8-11-21(12-9-15)13-16-5-3-4-6-17(16)19;3-1(4)2(5)6/h3-6,14-15H,7-13H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)