methyl 5-[[(5S,7R)-3-acetamido-1-adamantyl]carbonyloxymethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[(5S,7R)-3-acetamido-1-adamantyl]carbonyloxymethyl]furan-2-carboxylate Openeye Name: methyl 5-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]oxymethyl]furan-2-carboxylate CAS Name: 5-[[[(5S,7R)-3-acetamido-1-adamantyl]-oxomethoxy]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]oxymethyl]furan-2-carboxylate Traditional Name: 5-[[(5S,7R)-3-acetamidoadamantane-1-carbonyl]oxymethyl]furan-2-carboxylic acid methyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C20H25NO6/c1-12(22)21-20-8-13-5-14(9-20)7-19(6-13,11-20)18(24)26-10-15-3-4-16(27-15)17(23)25-2/h3-4,13-14H,5-11H2,1-2H3,(H,21,22)/t13-,14+,19?,20?