2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine; oxalic acid Traditional Name: (4-ethoxybenzyl)-homopiperonyl-amine; oxalic acid Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO3.C2H2O4/c1-2-20-16-6-3-15(4-7-16)12-19-10-9-14-5-8-17-18(11-14)22-13-21-17;3-1(4)2(5)6/h3-8,11,19H,2,9-10,12-13H2,1H3;(H,3,4)(H,5,6)