[(3,5-ditert-butyl-4-oxidanyl-phenyl)-(pyridin-4-ylmethylamino)methyl]phosphonic acid

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)-(pyridin-4-ylmethylamino)methyl]phosphonic acid Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-(4-pyridylmethylamino)methyl]phosphonic acid CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-(pyridin-4-ylmethylamino)methyl]phosphonic acid IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-(pyridin-4-ylmethylamino)methyl]phosphonic acid Traditional Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-(4-pyridylmethylamino)methyl]phosphonic acid Formula: C21H31N2O4P MolecularWeight: 406.455601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NCC2=CC=NC=C2)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(NCC2=CC=NC=C2)P(=O)(O)O

InChI

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