[[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-(phenethylamino)methyl]phosphonic acid

Systemtic Name: [[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-(phenethylamino)methyl]phosphonic acid Openeye Name: [(4-hydroxy-3,5-diisopropyl-phenyl)-(phenethylamino)methyl]phosphonic acid CAS Name: [[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(phenethylamino)methyl]phosphonic acid IUPAC Name: [[4-hydroxy-3,5-di(propan-2-yl)phenyl]-(phenethylamino)methyl]phosphonic acid Traditional Name: [(4-hydroxy-3,5-diisopropyl-phenyl)-(phenethylamino)methyl]phosphonic acid Formula: C21H30NO4P MolecularWeight: 391.440961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C(NCCC2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)C(NCCC2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C21H30NO4P/c1-14(2)18-12-17(13-19(15(3)4)20(18)23)21(27(24,25)26)22-11-10-16-8-6-5-7-9-16/h5-9,12-15,21-23H,10-11H2,1-4H3,(H2,24,25,26)