2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine; oxalic acid Traditional Name: homopiperonyl(m-anisyl)amine; oxalic acid Formula: C19H21NO7 MolecularWeight: 375.37254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H19NO3.C2H2O4/c1-19-15-4-2-3-14(9-15)11-18-8-7-13-5-6-16-17(10-13)21-12-20-16;3-1(4)2(5)6/h2-6,9-10,18H,7-8,11-12H2,1H3;(H,3,4)(H,5,6)