4-[(3-bromanyl-5-propan-2-yloxy-phenyl)methyl]-1-[2-(6-chloranyl-1,3-benzodioxol-5-yl)ethyl]piperidine

Systemtic Name: 4-[(3-bromanyl-5-propan-2-yloxy-phenyl)methyl]-1-[2-(6-chloranyl-1,3-benzodioxol-5-yl)ethyl]piperidine Openeye Name: 4-[(3-bromo-5-isopropoxy-phenyl)methyl]-1-[2-(6-chloro-1,3-benzodioxol-5-yl)ethyl]piperidine CAS Name: 4-[(3-bromo-5-propan-2-yloxyphenyl)methyl]-1-[2-(6-chloro-1,3-benzodioxol-5-yl)ethyl]piperidine IUPAC Name: 4-[(3-bromo-5-propan-2-yloxyphenyl)methyl]-1-[2-(6-chloro-1,3-benzodioxol-5-yl)ethyl]piperidine Traditional Name: 4-(3-bromo-5-isopropoxy-benzyl)-1-[2-(6-chloro-1,3-benzodioxol-5-yl)ethyl]piperidine Formula: C24H29BrClNO3 MolecularWeight: 494.84896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3Cl)OCO4)Br

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)CC2CCN(CC2)CCC3=CC4=C(C=C3Cl)OCO4)Br

InChI

InChI=1S/C24H29BrClNO3/c1-16(2)30-21-11-18(10-20(25)13-21)9-17-3-6-27(7-4-17)8-5-19-12-23-24(14-22(19)26)29-15-28-23/h10-14,16-17H,3-9,15H2,1-2H3