N-[(2,5-dimethoxyphenyl)methyl]-1-pyridin-3-yl-methanamine; ethanedioic acid

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-1-pyridin-3-yl-methanamine; ethanedioic acid Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(3-pyridyl)methanamine; oxalic acid CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(3-pyridinyl)methanamine; oxalic acid IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-1-pyridin-3-ylmethanamine; oxalic acid Traditional Name: (2,5-dimethoxybenzyl)-(3-pyridylmethyl)amine; oxalic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNCC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O2.C2H2O4/c1-18-14-5-6-15(19-2)13(8-14)11-17-10-12-4-3-7-16-9-12;3-1(4)2(5)6/h3-9,17H,10-11H2,1-2H3;(H,3,4)(H,5,6)