[2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] dihydrogen phosphate

Systemtic Name: [2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] dihydrogen phosphate Openeye Name: [2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] dihydrogen phosphate CAS Name: [2-(1-oxooctylamino)-2-(3-pentoxyphenyl)ethyl] dihydrogen phosphate IUPAC Name: [2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] dihydrogen phosphate Traditional Name: [2-(3-amoxyphenyl)-2-(caprylylamino)ethyl] dihydrogen phosphate Formula: C21H36NO6P MolecularWeight: 429.487401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)OCCCCC

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)OCCCCC

InChI

InChI=1S/C21H36NO6P/c1-3-5-7-8-9-14-21(23)22-20(17-28-29(24,25)26)18-12-11-13-19(16-18)27-15-10-6-4-2/h11-13,16,20H,3-10,14-15,17H2,1-2H3,(H,22,23)(H2,24,25,26)