N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine; oxalic acid Traditional Name: homoveratryl(piperonyl)amine; oxalic acid Formula: C20H23NO8 MolecularWeight: 405.39852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2)OCO3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC3=C(C=C2)OCO3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H21NO4.C2H2O4/c1-20-15-5-3-13(9-17(15)21-2)7-8-19-11-14-4-6-16-18(10-14)23-12-22-16;3-1(4)2(5)6/h3-6,9-10,19H,7-8,11-12H2,1-2H3;(H,3,4)(H,5,6)