ethanedioic acid; 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)methanamine

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)methanamine Openeye Name: 1-(4-fluorophenyl)-N-(3-pyridylmethyl)methanamine; oxalic acid CAS Name: 1-(4-fluorophenyl)-N-(3-pyridinylmethyl)methanamine; oxalic acid IUPAC Name: 1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)methanamine; oxalic acid Traditional Name: (4-fluorobenzyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C15H15FN2O4 MolecularWeight: 306.289003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)CNCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13FN2.C2H2O4/c14-13-5-3-11(4-6-13)8-16-10-12-2-1-7-15-9-12;3-1(4)2(5)6/h1-7,9,16H,8,10H2;(H,3,4)(H,5,6)