3-acetamido-2-(1-fluoranyl-3-octanoyloxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-2-(1-fluoranyl-3-octanoyloxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(1-fluoro-2-hydroxy-3-octanoyloxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-fluoro-2-hydroxy-3-(1-oxooctoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-fluoro-2-hydroxy-3-octanoyloxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(3-caprylyloxy-1-fluoro-2-hydroxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C20H31FN2O7 MolecularWeight: 430.467743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)C=N)NC(=O)C)F)O

Isomeric SMILES

CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)C=N)NC(=O)C)F)O

InChI

InChI=1S/C20H31FN2O7/c1-3-4-5-6-7-8-16(26)29-11-14(25)17(21)19-18(23-12(2)24)13(10-22)9-15(30-19)20(27)28/h9-10,13-14,17-19,22,25H,3-8,11H2,1-2H3,(H,23,24)(H,27,28)