ethanedioic acid; N-methyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine Openeye Name: 2-benzyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; oxalic acid CAS Name: N-methyl-2-(phenylmethyl)-3-[4-(trifluoromethyl)phenoxy]-1-propanamine; oxalic acid IUPAC Name: 2-benzyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; oxalic acid Traditional Name: [2-benzyl-3-[4-(trifluoromethyl)phenoxy]propyl]-methyl-amine; oxalic acid Formula: C20H22F3NO5 MolecularWeight: 413.38759

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CC1=CC=CC=C1)COC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CNCC(CC1=CC=CC=C1)COC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20F3NO.C2H2O4/c1-22-12-15(11-14-5-3-2-4-6-14)13-23-17-9-7-16(8-10-17)18(19,20)21;3-1(4)2(5)6/h2-10,15,22H,11-13H2,1H3;(H,3,4)(H,5,6)