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

Systemtic Name: [2-(3-methylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate Openeye Name: [2-(m-tolyl)-2-(octanoylamino)ethyl] dihydrogen phosphate CAS Name: [2-(3-methylphenyl)-2-(1-oxooctylamino)ethyl] dihydrogen phosphate IUPAC Name: [2-(3-methylphenyl)-2-(octanoylamino)ethyl] dihydrogen phosphate Traditional Name: [2-(caprylylamino)-2-(m-tolyl)ethyl] dihydrogen phosphate Formula: C17H28NO5P MolecularWeight: 357.381681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO5P/c1-3-4-5-6-7-11-17(19)18-16(13-23-24(20,21)22)15-10-8-9-14(2)12-15/h8-10,12,16H,3-7,11,13H2,1-2H3,(H,18,19)(H2,20,21,22)