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

Systemtic Name: methyl 2-[2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoyloxymethyl]furan-3-carboxylate Openeye Name: methyl 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]oxymethyl]furan-3-carboxylate CAS Name: 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]-1-oxoethoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]oxymethyl]furan-3-carboxylate Traditional Name: 2-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]oxymethyl]furan-3-carboxylic acid methyl ester Formula: C19H23BrO5 MolecularWeight: 411.28692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=C(OC=C1)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C19H23BrO5/c1-23-17(22)14-2-3-24-15(14)10-25-16(21)9-18-5-12-4-13(6-18)8-19(20,7-12)11-18/h2-3,12-13H,4-11H2,1H3/t12-,13+,18?,19?