[2-azanyl-4-[4-(4-cyclohexylbutoxy)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[4-(4-cyclohexylbutoxy)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[4-(4-cyclohexylbutoxy)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate CAS Name: [2-amino-4-[4-(4-cyclohexylbutoxy)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[4-(4-cyclohexylbutoxy)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate Traditional Name: [2-amino-4-[4-(4-cyclohexylbutoxy)phenyl]-2-methylol-butyl] dihydrogen phosphate Formula: C21H36NO6P MolecularWeight: 429.487401

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCOC2=CC=C(C=C2)CCC(CO)(COP(=O)(O)O)N

Isomeric SMILES

C1CCC(CC1)CCCCOC2=CC=C(C=C2)CCC(CO)(COP(=O)(O)O)N

InChI

InChI=1S/C21H36NO6P/c22-21(16-23,17-28-29(24,25)26)14-13-19-9-11-20(12-10-19)27-15-5-4-8-18-6-2-1-3-7-18/h9-12,18,23H,1-8,13-17,22H2,(H2,24,25,26)