[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 5-(hydroxymethyl)-2-methyl-furan-3-carboxylate CAS Name: 5-(hydroxymethyl)-2-methyl-3-furancarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 5-(hydroxymethyl)-2-methylfuran-3-carboxylate Traditional Name: 2-methyl-5-methylol-furan-3-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CO)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(O1)CO)C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26O5/c1-11-17(6-16(10-21)24-11)19(23)25-12(2)18(22)20-7-13-3-14(8-20)5-15(4-13)9-20/h6,12-15,21H,3-5,7-10H2,1-2H3