[2-(octanoylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] dihydrogen phosphate

Systemtic Name: [2-(octanoylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] dihydrogen phosphate Openeye Name: [2-[3-(1-ethylpropoxy)phenyl]-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-(1-oxooctylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] dihydrogen phosphate IUPAC Name: [2-(octanoylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-2-[3-(1-ethylpropoxy)phenyl]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)OC(CC)CC

Isomeric SMILES

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

InChI

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