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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)C(=O)OC

InChI

InChI=1S/C19H23BrO5/c1-11-15(16(21)23-2)4-14(25-11)9-24-17(22)18-5-12-3-13(6-18)8-19(20,7-12)10-18/h4,12-13H,3,5-10H2,1-2H3/t12-,13+,18?,19?