ethanedioic acid; 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol Openeye Name: 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenoxy]-3-pyrrolidinol IUPAC Name: 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol; oxalic acid Traditional Name: 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol; oxalic acid Formula: C20H20F3NO6 MolecularWeight: 427.37111

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)OC3=CC=CC(=C3)C(F)(F)F)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(C(CN1CC2=CC=CC=C2)OC3=CC=CC(=C3)C(F)(F)F)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18F3NO2.C2H2O4/c19-18(20,21)14-7-4-8-15(9-14)24-17-12-22(11-16(17)23)10-13-5-2-1-3-6-13;3-1(4)2(5)6/h1-9,16-17,23H,10-12H2;(H,3,4)(H,5,6)