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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]methanamine; ethanedioic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-N-[(3-benzyloxy-4-methoxy-phenyl)methyl]methanamine; oxalic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine; oxalic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]methanamine; oxalic acid Traditional Name: (3-benzoxy-4-methoxy-benzyl)-piperonyl-amine; oxalic acid Formula: C25H25NO8 MolecularWeight: 467.4679

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23NO4.C2H2O4/c1-25-20-9-7-18(11-22(20)26-15-17-5-3-2-4-6-17)13-24-14-19-8-10-21-23(12-19)28-16-27-21;3-1(4)2(5)6/h2-12,24H,13-16H2,1H3;(H,3,4)(H,5,6)