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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3-bromanyl-5-propan-2-yloxy-phenyl)methyl]piperidine Openeye Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3-bromo-5-isopropoxy-phenyl)methyl]piperidine CAS Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3-bromo-5-propan-2-yloxyphenyl)methyl]piperidine IUPAC Name: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(3-bromo-5-propan-2-yloxyphenyl)methyl]piperidine Traditional Name: 4-(3-bromo-5-isopropoxy-benzyl)-1-homopiperonyl-piperidine Formula: C24H30BrNO3 MolecularWeight: 460.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C24H30BrNO3/c1-17(2)29-22-13-20(12-21(25)15-22)11-19-6-9-26(10-7-19)8-5-18-3-4-23-24(14-18)28-16-27-23/h3-4,12-15,17,19H,5-11,16H2,1-2H3