[2-azanyl-4-(3-cyano-4-heptoxy-phenyl)-2-(hydroxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-(3-cyano-4-heptoxy-phenyl)-2-(hydroxymethyl)butyl] dihydrogen phosphate Openeye Name: [2-amino-4-(3-cyano-4-heptoxy-phenyl)-2-(hydroxymethyl)butyl] dihydrogen phosphate CAS Name: [2-amino-4-(3-cyano-4-heptoxyphenyl)-2-(hydroxymethyl)butyl] dihydrogen phosphate IUPAC Name: [2-amino-4-(3-cyano-4-heptoxyphenyl)-2-(hydroxymethyl)butyl] dihydrogen phosphate Traditional Name: [2-amino-4-(3-cyano-4-heptoxy-phenyl)-2-methylol-butyl] dihydrogen phosphate Formula: C19H31N2O6P MolecularWeight: 414.433001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(COP(=O)(O)O)N)C#N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(COP(=O)(O)O)N)C#N

InChI

InChI=1S/C19H31N2O6P/c1-2-3-4-5-6-11-26-18-8-7-16(12-17(18)13-20)9-10-19(21,14-22)15-27-28(23,24)25/h7-8,12,22H,2-6,9-11,14-15,21H2,1H3,(H2,23,24,25)