ethanedioic acid; 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone

Systemtic Name: ethanedioic acid; 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone Openeye Name: 2-(4-methyl-1-piperidyl)-1-[3-(trifluoromethyl)phenyl]ethanone; oxalic acid CAS Name: 2-(4-methyl-1-piperidinyl)-1-[3-(trifluoromethyl)phenyl]ethanone; oxalic acid IUPAC Name: 2-(4-methylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone; oxalic acid Traditional Name: 2-(4-methylpiperidino)-1-[3-(trifluoromethyl)phenyl]ethanone; oxalic acid Formula: C17H20F3NO5 MolecularWeight: 375.33961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC(=O)C2=CC(=CC=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)CC(=O)C2=CC(=CC=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18F3NO.C2H2O4/c1-11-5-7-19(8-6-11)10-14(20)12-3-2-4-13(9-12)15(16,17)18;3-1(4)2(5)6/h2-4,9,11H,5-8,10H2,1H3;(H,3,4)(H,5,6)