N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine; propanedioic acid

Systemtic Name: N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine; propanedioic acid Openeye Name: malonic acid; N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine CAS Name: N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine; propanedioic acid IUPAC Name: N-methyl-2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethanamine; propanedioic acid Traditional Name: malonic acid; methyl-[2-[2-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]ethyl]amine Formula: C19H22F3N3O8 MolecularWeight: 477.38849

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CN=C(N1)C2=CC(=CC=C2)C(F)(F)F.C(C(=O)O)C(=O)O.C(C(=O)O)C(=O)O

Isomeric SMILES

CNCCC1=CN=C(N1)C2=CC(=CC=C2)C(F)(F)F.C(C(=O)O)C(=O)O.C(C(=O)O)C(=O)O

InChI

InChI=1S/C13H14F3N3.2C3H4O4/c1-17-6-5-11-8-18-12(19-11)9-3-2-4-10(7-9)13(14,15)16;2*4-2(5)1-3(6)7/h2-4,7-8,17H,5-6H2,1H3,(H,18,19);2*1H2,(H,4,5)(H,6,7)