3-(2-cyanoquinolin-4-yl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(2-cyanoquinolin-4-yl)pentan-3-ylphosphonic acid Openeye Name: [1-(2-cyano-4-quinolyl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(2-cyano-4-quinolinyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(2-cyanoquinolin-4-yl)pentan-3-ylphosphonic acid Traditional Name: [1-(2-cyano-4-quinolyl)-1-ethyl-propyl]phosphonic acid Formula: C15H17N2O3P MolecularWeight: 304.280841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=NC2=CC=CC=C21)C#N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC(=NC2=CC=CC=C21)C#N)P(=O)(O)O

InChI

InChI=1S/C15H17N2O3P/c1-3-15(4-2,21(18,19)20)13-9-11(10-16)17-14-8-6-5-7-12(13)14/h5-9H,3-4H2,1-2H3,(H2,18,19,20)