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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)-[methyl(pyridin-3-ylmethyl)amino]methyl]phosphonic acid Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-[methyl(3-pyridylmethyl)amino]methyl]phosphonic acid CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-[methyl(3-pyridinylmethyl)amino]methyl]phosphonic acid IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-[methyl(pyridin-3-ylmethyl)amino]methyl]phosphonic acid Traditional Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-[methyl(3-pyridylmethyl)amino]methyl]phosphonic acid Formula: C22H33N2O4P MolecularWeight: 420.482181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(N(C)CC2=CN=CC=C2)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(N(C)CC2=CN=CC=C2)P(=O)(O)O

InChI

InChI=1S/C22H33N2O4P/c1-21(2,3)17-11-16(12-18(19(17)25)22(4,5)6)20(29(26,27)28)24(7)14-15-9-8-10-23-13-15/h8-13,20,25H,14H2,1-7H3,(H2,26,27,28)