[1,2-bis(oxidanyl)-1-(3-pyridin-4-ylpropanoyloxy)ethyl] 3-pyridin-4-ylpropanoate

Systemtic Name: [1,2-bis(oxidanyl)-1-(3-pyridin-4-ylpropanoyloxy)ethyl] 3-pyridin-4-ylpropanoate Openeye Name: [1,2-dihydroxy-1-[3-(4-pyridyl)propanoyloxy]ethyl] 3-(4-pyridyl)propanoate CAS Name: 3-pyridin-4-ylpropanoic acid [1,2-dihydroxy-1-(1-oxo-3-pyridin-4-ylpropoxy)ethyl] ester IUPAC Name: [1,2-dihydroxy-1-(3-pyridin-4-ylpropanoyloxy)ethyl] 3-pyridin-4-ylpropanoate Traditional Name: 3-(4-pyridyl)propionic acid [1,2-dihydroxy-1-[3-(4-pyridyl)propanoyloxy]ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCC(=O)OC(CO)(O)OC(=O)CCC2=CC=NC=C2

Isomeric SMILES

C1=CN=CC=C1CCC(=O)OC(CO)(O)OC(=O)CCC2=CC=NC=C2

InChI

InChI=1S/C18H20N2O6/c21-13-18(24,25-16(22)3-1-14-5-9-19-10-6-14)26-17(23)4-2-15-7-11-20-12-8-15/h5-12,21,24H,1-4,13H2