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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[(4-ethylphenyl)methyl]ethanamine; oxalic acid Traditional Name: (4-ethylbenzyl)-homopiperonyl-amine; oxalic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNCCC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO2.C2H2O4/c1-2-14-3-5-16(6-4-14)12-19-10-9-15-7-8-17-18(11-15)21-13-20-17;3-1(4)2(5)6/h3-8,11,19H,2,9-10,12-13H2,1H3;(H,3,4)(H,5,6)