[3-oxidanyl-1-[3-(pyridin-2-ylmethylamino)phenyl]butyl]phosphonic acid

Systemtic Name: [3-oxidanyl-1-[3-(pyridin-2-ylmethylamino)phenyl]butyl]phosphonic acid Openeye Name: [3-hydroxy-1-[3-(2-pyridylmethylamino)phenyl]butyl]phosphonic acid CAS Name: [3-hydroxy-1-[3-(2-pyridinylmethylamino)phenyl]butyl]phosphonic acid IUPAC Name: [3-hydroxy-1-[3-(pyridin-2-ylmethylamino)phenyl]butyl]phosphonic acid Traditional Name: [3-hydroxy-1-[3-(2-pyridylmethylamino)phenyl]butyl]phosphonic acid Formula: C16H21N2O4P MolecularWeight: 336.322701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC(=CC=C1)NCC2=CC=CC=N2)P(=O)(O)O)O

Isomeric SMILES

CC(CC(C1=CC(=CC=C1)NCC2=CC=CC=N2)P(=O)(O)O)O

InChI

InChI=1S/C16H21N2O4P/c1-12(19)9-16(23(20,21)22)13-5-4-7-14(10-13)18-11-15-6-2-3-8-17-15/h2-8,10,12,16,18-19H,9,11H2,1H3,(H2,20,21,22)