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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCNC)OC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CCNC)OC2=CC=C(C=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20F3NO.C2H2O4/c1-13-3-5-14(6-4-13)17(11-12-22-2)23-16-9-7-15(8-10-16)18(19,20)21;3-1(4)2(5)6/h3-10,17,22H,11-12H2,1-2H3;(H,3,4)(H,5,6)