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

Systemtic Name: methyl 5-[2-(3-bromanyl-1-adamantyl)ethanoyloxymethyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[2-(3-bromo-1-adamantyl)acetyl]oxymethyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[2-(3-bromo-1-adamantyl)-1-oxoethoxy]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(3-bromo-1-adamantyl)acetyl]oxymethyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[2-(3-bromo-1-adamantyl)acetyl]oxymethyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C20H25BrO5 MolecularWeight: 425.3135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)C(=O)OC

InChI

InChI=1S/C20H25BrO5/c1-12-3-15(26-17(12)18(23)24-2)10-25-16(22)9-19-5-13-4-14(6-19)8-20(21,7-13)11-19/h3,13-14H,4-11H2,1-2H3