[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C19H20BrClO3 MolecularWeight: 411.7173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H20BrClO3/c20-15-3-1-14(2-4-15)16(22)10-24-17(23)18-6-12-5-13(7-18)9-19(21,8-12)11-18/h1-4,12-13H,5-11H2/t12-,13+,18?,19?