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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C(C)(COP(=O)(O)O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)[C@](C)(COP(=O)(O)O)N

InChI

InChI=1S/C20H27N2O6P/c1-3-4-13-27-18-11-7-16(8-12-18)15-5-9-17(10-6-15)22-19(23)20(2,21)14-28-29(24,25)26/h5-12H,3-4,13-14,21H2,1-2H3,(H,22,23)(H2,24,25,26)/t20-/m0/s1