[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: [2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [2-[2-(2-fluorobenzoyl)hydrazino]-2-oxo-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [2-[[(2-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [2-[N'-(2-fluorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C22H26FN3O5 MolecularWeight: 431.457343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)NNC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)OCC(=O)NNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H26FN3O5/c1-13(27)24-22-9-14-6-15(10-22)8-21(7-14,12-22)20(30)31-11-18(28)25-26-19(29)16-4-2-3-5-17(16)23/h2-5,14-15H,6-12H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t14-,15+,21?,22?