N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine; ethanedioic acid

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine; ethanedioic acid Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine; oxalic acid CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-propanamine; oxalic acid IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]propan-2-amine; oxalic acid Traditional Name: isopropyl(o-veratryl)amine; oxalic acid Formula: C14H21NO6 MolecularWeight: 299.31964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=C(C(=CC=C1)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)NCC1=C(C(=CC=C1)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19NO2.C2H2O4/c1-9(2)13-8-10-6-5-7-11(14-3)12(10)15-4;3-1(4)2(5)6/h5-7,9,13H,8H2,1-4H3;(H,3,4)(H,5,6)