[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [5-(2-furyl)isoxazol-3-yl]methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [5-(2-furanyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [5-(2-furyl)isoxazol-3-yl]methyl ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC4=NOC(=C4)C5=CC=CO5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC4=NOC(=C4)C5=CC=CO5

InChI

InChI=1S/C19H20BrNO4/c20-19-8-12-4-13(9-19)7-18(6-12,11-19)17(22)24-10-14-5-16(25-21-14)15-2-1-3-23-15/h1-3,5,12-13H,4,6-11H2/t12-,13+,18?,19?