[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-(2-fluoranyl-4-methoxy-phenyl)adamantane-1-carboxylate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylate CAS Name: 3-(2-fluoro-4-methoxyphenyl)-1-adamantanecarboxylic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(2-fluoro-4-methoxy-phenyl)adamantane-1-carboxylic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C27H29FN2O5 MolecularWeight: 480.527963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NNC(=O)C5=CC=CC=C5)F

Isomeric SMILES

COC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NNC(=O)C5=CC=CC=C5)F

InChI

InChI=1S/C27H29FN2O5/c1-34-20-7-8-21(22(28)10-20)26-11-17-9-18(12-26)14-27(13-17,16-26)25(33)35-15-23(31)29-30-24(32)19-5-3-2-4-6-19/h2-8,10,17-18H,9,11-16H2,1H3,(H,29,31)(H,30,32)