1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(phenylmethyl)piperidine; ethanedioic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(phenylmethyl)piperidine; ethanedioic acid Openeye Name: 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine; oxalic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine; oxalic acid Traditional Name: 4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine; oxalic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3COC4=CC=CC=C4O3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3COC4=CC=CC=C4O3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25NO2.C2H2O4/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19;3-1(4)2(5)6/h1-9,18-19H,10-16H2;(H,3,4)(H,5,6)