[1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyridin-4-yl] adamantane-1-carboxylate

Systemtic Name: [1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyridin-4-yl] adamantane-1-carboxylate Openeye Name: [1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-4-pyridyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyridinyl] ester IUPAC Name: [1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyridin-4-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-2-keto-4-pyridyl] ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC(=O)N(C=C4)C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC(=O)N(C=C4)C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H27NO7/c23-10-15-17(25)18(26)19(29-15)22-2-1-14(6-16(22)24)28-20(27)21-7-11-3-12(8-21)5-13(4-11)9-21/h1-2,6,11-13,15,17-19,23,25-26H,3-5,7-10H2