[(3,5-ditert-butyl-4-oxidanyl-phenyl)-(pyridin-4-ylmethyl)amino]methylphosphonic acid

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)-(pyridin-4-ylmethyl)amino]methylphosphonic acid Openeye Name: [3,5-ditert-butyl-4-hydroxy-N-(4-pyridylmethyl)anilino]methylphosphonic acid CAS Name: [3,5-ditert-butyl-4-hydroxy-N-(pyridin-4-ylmethyl)anilino]methylphosphonic acid IUPAC Name: [3,5-ditert-butyl-4-hydroxy-N-(pyridin-4-ylmethyl)anilino]methylphosphonic acid Traditional Name: [3,5-ditert-butyl-4-hydroxy-N-(4-pyridylmethyl)anilino]methylphosphonic acid Formula: C21H31N2O4P MolecularWeight: 406.455601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N(CC2=CC=NC=C2)CP(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N(CC2=CC=NC=C2)CP(=O)(O)O

InChI

InChI=1S/C21H31N2O4P/c1-20(2,3)17-11-16(12-18(19(17)24)21(4,5)6)23(14-28(25,26)27)13-15-7-9-22-10-8-15/h7-12,24H,13-14H2,1-6H3,(H2,25,26,27)