ethanedioic acid; N-[3-(1H-imidazol-5-yl)propyl]-3-(trifluoromethyl)aniline

Systemtic Name: ethanedioic acid; N-[3-(1H-imidazol-5-yl)propyl]-3-(trifluoromethyl)aniline Openeye Name: N-[3-(1H-imidazol-5-yl)propyl]-3-(trifluoromethyl)aniline; oxalic acid CAS Name: N-[3-(1H-imidazol-5-yl)propyl]-3-(trifluoromethyl)aniline; oxalic acid IUPAC Name: N-[3-(1H-imidazol-5-yl)propyl]-3-(trifluoromethyl)aniline; oxalic acid Traditional Name: 3-(1H-imidazol-5-yl)propyl-[3-(trifluoromethyl)phenyl]amine; oxalic acid Formula: C15H16F3N3O4 MolecularWeight: 359.30045

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCCCC2=CN=CN2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCCCC2=CN=CN2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H14F3N3.C2H2O4/c14-13(15,16)10-3-1-4-11(7-10)18-6-2-5-12-8-17-9-19-12;3-1(4)2(5)6/h1,3-4,7-9,18H,2,5-6H2,(H,17,19);(H,3,4)(H,5,6)