2-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methoxy]-2-methyl-butanoic acid

Systemtic Name: 2-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methoxy]-2-methyl-butanoic acid Openeye Name: 2-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methoxy]-2-methyl-butanoic acid CAS Name: 2-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methoxy]-2-methylbutanoic acid IUPAC Name: 2-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methoxy]-2-methylbutanoic acid Traditional Name: 2-[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzyl]oxy-2-methyl-butyric acid Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)OCC1=CC=C(C=C1)C23CCC(CC2)(CC3)OC

Isomeric SMILES

CCC(C)(C(=O)O)OCC1=CC=C(C=C1)C23CCC(CC2)(CC3)OC

InChI

InChI=1S/C21H30O4/c1-4-19(2,18(22)23)25-15-16-5-7-17(8-6-16)20-9-12-21(24-3,13-10-20)14-11-20/h5-8H,4,9-15H2,1-3H3,(H,22,23)