ethanedioic acid; 1-[4-[3-(1H-imidazol-5-yl)propylamino]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[3-(1H-imidazol-5-yl)propylamino]phenyl]ethanone Openeye Name: 1-[4-[3-(1H-imidazol-5-yl)propylamino]phenyl]ethanone; oxalic acid CAS Name: 1-[4-[3-(1H-imidazol-5-yl)propylamino]phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(1H-imidazol-5-yl)propylamino]phenyl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(1H-imidazol-5-yl)propylamino]phenyl]ethanone; oxalic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O.C2H2O4/c1-11(18)12-4-6-13(7-5-12)16-8-2-3-14-9-15-10-17-14;3-1(4)2(5)6/h4-7,9-10,16H,2-3,8H2,1H3,(H,15,17);(H,3,4)(H,5,6)