(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-tert-butylphenoxy)propanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-tert-butylphenoxy)propanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-tert-butylphenoxy)propanoate CAS Name: 2-(4-tert-butylphenoxy)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-(4-tert-butylphenoxy)propanoate Traditional Name: 2-(4-tert-butylphenoxy)propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C21H31NO3 MolecularWeight: 345.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H31NO3/c1-14(24-18-10-6-15(7-11-18)21(2,3)4)20(23)25-19-12-16-8-9-17(13-19)22(16)5/h6-7,10-11,14,16-17,19H,8-9,12-13H2,1-5H3