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

Systemtic Name: 3-acetamido-2-(1-ethoxy-3-octanoyloxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(1-ethoxy-2-hydroxy-3-octanoyloxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-ethoxy-2-hydroxy-3-(1-oxooctoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-ethoxy-2-hydroxy-3-octanoyloxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(3-caprylyloxy-1-ethoxy-2-hydroxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C22H36N2O8 MolecularWeight: 456.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O8/c1-4-6-7-8-9-10-18(27)31-13-16(26)20(30-5-2)21-19(24-14(3)25)15(12-23)11-17(32-21)22(28)29/h11-12,15-16,19-21,23,26H,4-10,13H2,1-3H3,(H,24,25)(H,28,29)