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

Systemtic Name: [(2S)-2-azanyl-2-methyl-3-oxidanylidene-3-[[4-(4-phenylbutoxy)phenyl]amino]propyl] dihydrogen phosphate Openeye Name: [(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylbutoxy)anilino]propyl] dihydrogen phosphate CAS Name: [(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylbutoxy)anilino]propyl] dihydrogen phosphate IUPAC Name: [(2S)-2-amino-2-methyl-3-oxo-3-[4-(4-phenylbutoxy)anilino]propyl] dihydrogen phosphate Traditional Name: [(2S)-2-amino-3-keto-2-methyl-3-[4-(4-phenylbutoxy)anilino]propyl] dihydrogen phosphate Formula: C20H27N2O6P MolecularWeight: 422.411941

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Descriptors Computed from Structure

Canonical SMILES:

CC(COP(=O)(O)O)(C(=O)NC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)N

Isomeric SMILES

C[C@](COP(=O)(O)O)(C(=O)NC1=CC=C(C=C1)OCCCCC2=CC=CC=C2)N

InChI

InChI=1S/C20H27N2O6P/c1-20(21,15-28-29(24,25)26)19(23)22-17-10-12-18(13-11-17)27-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13H,5-6,9,14-15,21H2,1H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1