[(2S)-2-azanyl-3-[(2-fluoranyl-4-octoxy-phenyl)amino]-2-methyl-3-oxidanylidene-propyl] dihydrogen phosphate

Systemtic Name: [(2S)-2-azanyl-3-[(2-fluoranyl-4-octoxy-phenyl)amino]-2-methyl-3-oxidanylidene-propyl] dihydrogen phosphate Openeye Name: [(2S)-2-amino-3-(2-fluoro-4-octoxy-anilino)-2-methyl-3-oxo-propyl] dihydrogen phosphate CAS Name: [(2S)-2-amino-3-(2-fluoro-4-octoxyanilino)-2-methyl-3-oxopropyl] dihydrogen phosphate IUPAC Name: [(2S)-2-amino-3-(2-fluoro-4-octoxyanilino)-2-methyl-3-oxopropyl] dihydrogen phosphate Traditional Name: [(2S)-2-amino-3-(2-fluoro-4-octoxy-anilino)-3-keto-2-methyl-propyl] dihydrogen phosphate Formula: C18H30FN2O6P MolecularWeight: 420.412764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)NC(=O)C(C)(COP(=O)(O)O)N)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)NC(=O)[C@](C)(COP(=O)(O)O)N)F

InChI

InChI=1S/C18H30FN2O6P/c1-3-4-5-6-7-8-11-26-14-9-10-16(15(19)12-14)21-17(22)18(2,20)13-27-28(23,24)25/h9-10,12H,3-8,11,13,20H2,1-2H3,(H,21,22)(H2,23,24,25)/t18-/m0/s1