ethanedioic acid; 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline

Systemtic Name: ethanedioic acid; 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline Openeye Name: 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline; oxalic acid CAS Name: 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline; oxalic acid IUPAC Name: 4-ethyl-N-[3-(1H-imidazol-5-yl)propyl]aniline; oxalic acid Traditional Name: (4-ethylphenyl)-[3-(1H-imidazol-5-yl)propyl]amine; oxalic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NCCCC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NCCCC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3.C2H2O4/c1-2-12-5-7-13(8-6-12)16-9-3-4-14-10-15-11-17-14;3-1(4)2(5)6/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17);(H,3,4)(H,5,6)