3-azanyl-3-[3-(3-bicyclo[2.2.2]octanyloxy)-4-methoxy-phenyl]propanoic acid

Systemtic Name: 3-azanyl-3-[3-(3-bicyclo[2.2.2]octanyloxy)-4-methoxy-phenyl]propanoic acid Openeye Name: 3-amino-3-[3-(3-bicyclo[2.2.2]octanyloxy)-4-methoxy-phenyl]propanoic acid CAS Name: 3-amino-3-[3-(3-bicyclo[2.2.2]octanyloxy)-4-methoxyphenyl]propanoic acid IUPAC Name: 3-amino-3-[3-(3-bicyclo[2.2.2]octanyloxy)-4-methoxyphenyl]propanoic acid Traditional Name: 3-amino-3-[3-(3-bicyclo[2.2.2]octanyloxy)-4-methoxy-phenyl]propionic acid Formula: C18H25NO4 MolecularWeight: 319.3954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)N)OC2CC3CCC2CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)N)OC2CC3CCC2CC3

InChI

InChI=1S/C18H25NO4/c1-22-15-7-6-13(14(19)10-18(20)21)9-17(15)23-16-8-11-2-4-12(16)5-3-11/h6-7,9,11-12,14,16H,2-5,8,10,19H2,1H3,(H,20,21)