3-[(3-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid

Systemtic Name: 3-[(3-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid Openeye Name: 3-[(3-isopropylphenyl)methyl]quinuclidine-4-carboxylic acid CAS Name: 3-[(3-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid IUPAC Name: 3-[(3-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octane-4-carboxylic acid Traditional Name: 3-(3-isopropylbenzyl)quinuclidine-4-carboxylic acid Formula: C18H25NO2 MolecularWeight: 287.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)CC2CN3CCC2(CC3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=CC(=C1)CC2CN3CCC2(CC3)C(=O)O

InChI

InChI=1S/C18H25NO2/c1-13(2)15-5-3-4-14(10-15)11-16-12-19-8-6-18(16,7-9-19)17(20)21/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,20,21)