(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6-bromanylnaphthalen-2-yl)oxybutanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6-bromanylnaphthalen-2-yl)oxybutanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[(6-bromo-2-naphthyl)oxy]butanoate CAS Name: 2-[(6-bromo-2-naphthalenyl)oxy]butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6-bromonaphthalen-2-yl)oxybutanoate Traditional Name: 2-(6-bromo-2-naphthoxy)butyric acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC4=C(C=C3)C=C(C=C4)Br

Isomeric SMILES

CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC4=C(C=C3)C=C(C=C4)Br

InChI

InChI=1S/C22H26BrNO3/c1-3-21(22(25)27-20-12-17-7-8-18(13-20)24(17)2)26-19-9-5-14-10-16(23)6-4-15(14)11-19/h4-6,9-11,17-18,20-21H,3,7-8,12-13H2,1-2H3