N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-methanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-methanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-methanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-phenylmethanamine; oxalic acid Traditional Name: benzyl(piperonyl)amine; oxalic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15NO2.C2H2O4/c1-2-4-12(5-3-1)9-16-10-13-6-7-14-15(8-13)18-11-17-14;3-1(4)2(5)6/h1-8,16H,9-11H2;(H,3,4)(H,5,6)