3-[[3-[diethoxymethyl(oxidanyl)phosphoryl]-2-oxidanyl-propyl]-ethyl-amino]benzoic acid

Systemtic Name: 3-[[3-[diethoxymethyl(oxidanyl)phosphoryl]-2-oxidanyl-propyl]-ethyl-amino]benzoic acid Openeye Name: 3-[[3-[diethoxymethyl(hydroxy)phosphoryl]-2-hydroxy-propyl]-ethyl-amino]benzoic acid CAS Name: 3-[[3-[diethoxymethyl(hydroxy)phosphoryl]-2-hydroxypropyl]-ethylamino]benzoic acid IUPAC Name: 3-[[3-[diethoxymethyl(hydroxy)phosphoryl]-2-hydroxypropyl]-ethylamino]benzoic acid Traditional Name: 3-[[3-[diethoxymethyl(hydroxy)phosphoryl]-2-hydroxy-propyl]-ethyl-amino]benzoic acid Formula: C17H28NO7P MolecularWeight: 389.380481

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CP(=O)(C(OCC)OCC)O)O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCN(CC(CP(=O)(C(OCC)OCC)O)O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C17H28NO7P/c1-4-18(14-9-7-8-13(10-14)16(20)21)11-15(19)12-26(22,23)17(24-5-2)25-6-3/h7-10,15,17,19H,4-6,11-12H2,1-3H3,(H,20,21)(H,22,23)