N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine; ethanedioic acid

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine; ethanedioic acid Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine; oxalic acid CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine; oxalic acid IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine; oxalic acid Traditional Name: 2-(4-fluorophenyl)ethyl-piperonyl-amine; oxalic acid Formula: C18H18FNO6 MolecularWeight: 363.337023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FNO2.C2H2O4/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15;3-1(4)2(5)6/h1-6,9,18H,7-8,10-11H2;(H,3,4)(H,5,6)