ethanedioic acid; N-(phenylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine

Systemtic Name: ethanedioic acid; N-(phenylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine Openeye Name: N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine; oxalic acid CAS Name: oxalic acid; N-(phenylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine IUPAC Name: N-benzyl-2-[3-(trifluoromethyl)phenoxy]ethanamine; oxalic acid Traditional Name: benzyl-[2-[3-(trifluoromethyl)phenoxy]ethyl]amine; oxalic acid Formula: C18H18F3NO5 MolecularWeight: 385.33443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCOC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCCOC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16F3NO.C2H2O4/c17-16(18,19)14-7-4-8-15(11-14)21-10-9-20-12-13-5-2-1-3-6-13;3-1(4)2(5)6/h1-8,11,20H,9-10,12H2;(H,3,4)(H,5,6)