1-(1,3-benzodioxol-5-yl)-N-[(4-methoxynaphthalen-1-yl)methyl]methanamine; ethanedioic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxynaphthalen-1-yl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-1-naphthyl)methyl]methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-1-naphthalenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxynaphthalen-1-yl)methyl]methanamine; oxalic acid Traditional Name: (4-methoxy-1-naphthyl)methyl-piperonyl-amine; oxalic acid Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)CNCC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)CNCC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19NO3.C2H2O4/c1-22-18-9-7-15(16-4-2-3-5-17(16)18)12-21-11-14-6-8-19-20(10-14)24-13-23-19;3-1(4)2(5)6/h2-10,21H,11-13H2,1H3;(H,3,4)(H,5,6)