[[ethanoyl(4-pyridin-2-yloxybutyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[ethanoyl(4-pyridin-2-yloxybutyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[acetyl-[4-(2-pyridyloxy)butyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[acetyl-[4-(2-pyridinyloxy)butyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[acetyl(4-pyridin-2-yloxybutyl)amino]-phosphonomethyl]phosphonic acid Traditional Name: [[acetyl-[4-(2-pyridyloxy)butyl]amino]-phosphono-methyl]phosphonic acid Formula: C12H20N2O8P2 MolecularWeight: 382.243322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCCOC1=CC=CC=N1)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)N(CCCCOC1=CC=CC=N1)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H20N2O8P2/c1-10(15)14(12(23(16,17)18)24(19,20)21)8-4-5-9-22-11-6-2-3-7-13-11/h2-3,6-7,12H,4-5,8-9H2,1H3,(H2,16,17,18)(H2,19,20,21)