[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(3-phenylpropylamino)ethyl]phosphonic acid

Systemtic Name: [2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(3-phenylpropylamino)ethyl]phosphonic acid Openeye Name: [2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(3-phenylpropylamino)ethyl]phosphonic acid CAS Name: [2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(3-phenylpropylamino)ethyl]phosphonic acid IUPAC Name: [2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(3-phenylpropylamino)ethyl]phosphonic acid Traditional Name: [2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(3-phenylpropylamino)ethyl]phosphonic acid Formula: C25H38NO4P MolecularWeight: 447.547281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(NCCCC2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(NCCCC2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C25H38NO4P/c1-24(2,3)20-15-19(16-21(23(20)27)25(4,5)6)17-22(31(28,29)30)26-14-10-13-18-11-8-7-9-12-18/h7-9,11-12,15-16,22,26-27H,10,13-14,17H2,1-6H3,(H2,28,29,30)