2-(3,4-dimethoxyphenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; ethanedioic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; ethanedioic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine; oxalic acid Traditional Name: homoveratryl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amine; oxalic acid Formula: C21H25NO9 MolecularWeight: 435.4245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5.C2H2O4/c1-21-15-5-4-13(8-16(15)22-2)6-7-20-11-14-9-17(23-3)19-18(10-14)24-12-25-19;3-1(4)2(5)6/h4-5,8-10,20H,6-7,11-12H2,1-3H3;(H,3,4)(H,5,6)