ethanedioic acid; N-[4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentanamine

Systemtic Name: ethanedioic acid; N-[4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentanamine Openeye Name: oxalic acid; N-[4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentanamine CAS Name: oxalic acid; N-[4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentanamine IUPAC Name: oxalic acid; N-[4-[3-(trifluoromethyl)phenoxy]butyl]cyclopentanamine Traditional Name: cyclopentyl-[4-[3-(trifluoromethyl)phenoxy]butyl]amine; oxalic acid Formula: C18H24F3NO5 MolecularWeight: 391.38207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NCCCCOC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)NCCCCOC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22F3NO.C2H2O4/c17-16(18,19)13-6-5-9-15(12-13)21-11-4-3-10-20-14-7-1-2-8-14;3-1(4)2(5)6/h5-6,9,12,14,20H,1-4,7-8,10-11H2;(H,3,4)(H,5,6)