3-[3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]propanoic acid

Systemtic Name: 3-[3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]propanoic acid Openeye Name: 3-[3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]propanoic acid CAS Name: 3-[3-(dimethoxyphosphorylmethyl)-2-quinoxalinyl]propanoic acid IUPAC Name: 3-[3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]propanoic acid Traditional Name: 3-[3-(dimethoxyphosphorylmethyl)quinoxalin-2-yl]propionic acid Formula: C14H17N2O5P MolecularWeight: 324.268941

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(CC1=NC2=CC=CC=C2N=C1CCC(=O)O)OC

Isomeric SMILES

COP(=O)(CC1=NC2=CC=CC=C2N=C1CCC(=O)O)OC

InChI

InChI=1S/C14H17N2O5P/c1-20-22(19,21-2)9-13-12(7-8-14(17)18)15-10-5-3-4-6-11(10)16-13/h3-6H,7-9H2,1-2H3,(H,17,18)