dimethyl (2S,3R)-2-dimethoxyphosphoryl-3-(8-oxidanylquinolin-7-yl)butanedioate

Systemtic Name: dimethyl (2S,3R)-2-dimethoxyphosphoryl-3-(8-oxidanylquinolin-7-yl)butanedioate Openeye Name: dimethyl (2S,3R)-2-dimethoxyphosphoryl-3-(8-hydroxy-7-quinolyl)butanedioate CAS Name: (2S,3R)-2-dimethoxyphosphoryl-3-(8-hydroxy-7-quinolinyl)butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S,3R)-2-dimethoxyphosphoryl-3-(8-hydroxyquinolin-7-yl)butanedioate Traditional Name: (2S,3R)-2-dimethoxyphosphoryl-3-(8-hydroxy-7-quinolyl)succinic acid dimethyl ester Formula: C17H20NO8P MolecularWeight: 397.316361

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(C2=C(C=CC=N2)C=C1)O)C(C(=O)OC)P(=O)(OC)OC

Isomeric SMILES

COC(=O)[C@@H](C1=C(C2=C(C=CC=N2)C=C1)O)[C@@H](C(=O)OC)P(=O)(OC)OC

InChI

InChI=1S/C17H20NO8P/c1-23-16(20)12(15(17(21)24-2)27(22,25-3)26-4)11-8-7-10-6-5-9-18-13(10)14(11)19/h5-9,12,15,19H,1-4H3/t12-,15-/m0/s1