3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-1-pentyl-piperidine; ethanedioic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-1-pentyl-piperidine; ethanedioic acid Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-1-pentyl-piperidine; oxalic acid CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-1-pentylpiperidine; oxalic acid IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)-1-pentylpiperidine; oxalic acid Traditional Name: 1-amyl-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)piperidine; oxalic acid Formula: C27H35NO8 MolecularWeight: 501.5687

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33NO4.C2H2O4/c1-3-4-5-13-26-14-12-23(19-6-8-21(27-2)9-7-19)20(16-26)17-28-22-10-11-24-25(15-22)30-18-29-24;3-1(4)2(5)6/h6-11,15,20,23H,3-5,12-14,16-18H2,1-2H3;(H,3,4)(H,5,6)