1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidine

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(2-bromanyl-5-methoxy-phenyl)methyl]piperidine Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(2-bromo-5-methoxy-phenyl)methyl]piperidine CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(2-bromo-5-methoxyphenyl)methyl]piperidine IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(2-bromo-5-methoxyphenyl)methyl]piperidine Traditional Name: 4-(2-bromo-5-methoxy-benzyl)-1-homopiperonyl-piperidine Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26BrNO3/c1-25-19-3-4-20(23)18(14-19)12-17-7-10-24(11-8-17)9-6-16-2-5-21-22(13-16)27-15-26-21/h2-5,13-14,17H,6-12,15H2,1H3