ethanedioic acid; 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)ethanamine

Systemtic Name: ethanedioic acid; 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)ethanamine Openeye Name: 2-(4-fluorophenyl)-N-(3-pyridylmethyl)ethanamine; oxalic acid CAS Name: 2-(4-fluorophenyl)-N-(3-pyridinylmethyl)ethanamine; oxalic acid IUPAC Name: 2-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)ethanamine; oxalic acid Traditional Name: 2-(4-fluorophenyl)ethyl-(3-pyridylmethyl)amine; oxalic acid Formula: C16H17FN2O4 MolecularWeight: 320.315583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNCCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CN=C1)CNCCC2=CC=C(C=C2)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H15FN2.C2H2O4/c15-14-5-3-12(4-6-14)7-9-17-11-13-2-1-8-16-10-13;3-1(4)2(5)6/h1-6,8,10,17H,7,9,11H2;(H,3,4)(H,5,6)