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

Systemtic Name: [[3,5-di(butan-2-yl)-4-oxidanyl-phenyl]-(phenethylamino)methyl]phosphonic acid Openeye Name: [(4-hydroxy-3,5-disec-butyl-phenyl)-(phenethylamino)methyl]phosphonic acid CAS Name: [[3,5-di(butan-2-yl)-4-hydroxyphenyl]-(phenethylamino)methyl]phosphonic acid IUPAC Name: [[3,5-di(butan-2-yl)-4-hydroxyphenyl]-(phenethylamino)methyl]phosphonic acid Traditional Name: [(4-hydroxy-3,5-disec-butyl-phenyl)-(phenethylamino)methyl]phosphonic acid Formula: C23H34NO4P MolecularWeight: 419.494121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34NO4P/c1-5-16(3)20-14-19(15-21(22(20)25)17(4)6-2)23(29(26,27)28)24-13-12-18-10-8-7-9-11-18/h7-11,14-17,23-25H,5-6,12-13H2,1-4H3,(H2,26,27,28)