N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-ethanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-ethanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-phenylethanamine; oxalic acid Traditional Name: oxalic acid; phenethyl(piperonyl)amine Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H17NO2.C2H2O4/c1-2-4-13(5-3-1)8-9-17-11-14-6-7-15-16(10-14)19-12-18-15;3-1(4)2(5)6/h1-7,10,17H,8-9,11-12H2;(H,3,4)(H,5,6)