methyl 5-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-12-17(19(24)26-2)6-16(28-12)11-27-18(23)10-22-20(25)21-7-13-3-14(8-21)5-15(4-13)9-21/h6,13-15H,3-5,7-11H2,1-2H3,(H,22,25)