2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropanoic acid

Systemtic Name: 2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropanoic acid Openeye Name: 2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropanoic acid CAS Name: 2-[[4-(cyclohexylmethylamino)-1-ethyl-6-pyrazolo[3,4-b]quinolinyl]oxy]propanoic acid IUPAC Name: 2-[4-(cyclohexylmethylamino)-1-ethylpyrazolo[3,4-b]quinolin-6-yl]oxypropanoic acid Traditional Name: 2-[4-(cyclohexylmethylamino)-1-ethyl-pyrazolo[3,4-b]quinolin-6-yl]oxypropionic acid Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=C(C=C(C=C3)OC(C)C(=O)O)C(=C2C=N1)NCC4CCCCC4

Isomeric SMILES

CCN1C2=NC3=C(C=C(C=C3)OC(C)C(=O)O)C(=C2C=N1)NCC4CCCCC4

InChI

InChI=1S/C22H28N4O3/c1-3-26-21-18(13-24-26)20(23-12-15-7-5-4-6-8-15)17-11-16(9-10-19(17)25-21)29-14(2)22(27)28/h9-11,13-15H,3-8,12H2,1-2H3,(H,23,25)(H,27,28)