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

Systemtic Name: ethanedioic acid; N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethanamine Openeye Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid CAS Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid IUPAC Name: N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethanamine; oxalic acid Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]amine; oxalic acid Formula: C20H23NO8 MolecularWeight: 405.39852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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