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

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(6-bromanylnaphthalen-2-yl)oxypropanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-[(6-bromo-2-naphthyl)oxy]propanoate CAS Name: 2-[(6-bromo-2-naphthalenyl)oxy]propanoic 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)oxypropanoate Traditional Name: 2-(6-bromo-2-naphthoxy)propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO3/c1-13(21(24)26-20-11-17-6-7-18(12-20)23(17)2)25-19-8-4-14-9-16(22)5-3-15(14)10-19/h3-5,8-10,13,17-18,20H,6-7,11-12H2,1-2H3