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

Systemtic Name: ethanedioic acid; 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine Openeye Name: 3-imidazol-1-yl-N-(p-tolylmethyl)propan-1-amine; oxalic acid CAS Name: 3-(1-imidazolyl)-N-[(4-methylphenyl)methyl]-1-propanamine; oxalic acid IUPAC Name: 3-imidazol-1-yl-N-[(4-methylphenyl)methyl]propan-1-amine; oxalic acid Traditional Name: 3-imidazol-1-ylpropyl-(4-methylbenzyl)amine; oxalic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCCCN2C=CN=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCCCN2C=CN=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19N3.C2H2O4/c1-13-3-5-14(6-4-13)11-15-7-2-9-17-10-8-16-12-17;3-1(4)2(5)6/h3-6,8,10,12,15H,2,7,9,11H2,1H3;(H,3,4)(H,5,6)