ethanedioic acid; ethyl 3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate; oxalic acid CAS Name: oxalic acid; 3-[[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate; oxalic acid Traditional Name: oxalic acid; 3-[4-(trifluoromethyl)benzyl]nipecotic acid ethyl ester Formula: C18H22F3NO6 MolecularWeight: 405.36559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H20F3NO2.C2H2O4/c1-2-22-14(21)15(8-3-9-20-11-15)10-12-4-6-13(7-5-12)16(17,18)19;3-1(4)2(5)6/h4-7,20H,2-3,8-11H2,1H3;(H,3,4)(H,5,6)