3-(1,3-benzodioxol-5-yloxymethyl)-1-(2-ethylhexyl)-4-(4-fluorophenyl)piperidine

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-1-(2-ethylhexyl)-4-(4-fluorophenyl)piperidine Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-1-(2-ethylhexyl)-4-(4-fluorophenyl)piperidine CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-1-(2-ethylhexyl)-4-(4-fluorophenyl)piperidine IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-1-(2-ethylhexyl)-4-(4-fluorophenyl)piperidine Traditional Name: 3-(1,3-benzodioxol-5-yloxymethyl)-1-(2-ethylhexyl)-4-(4-fluorophenyl)piperidine Formula: C27H36FNO3 MolecularWeight: 441.578043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC(CC)CN1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H36FNO3/c1-3-5-6-20(4-2)16-29-14-13-25(21-7-9-23(28)10-8-21)22(17-29)18-30-24-11-12-26-27(15-24)32-19-31-26/h7-12,15,20,22,25H,3-6,13-14,16-19H2,1-2H3