[2-oxidanylidene-2-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-oxidanylidene-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] adamantane-1-carboxylate Openeye Name: [2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] ester IUPAC Name: [2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-keto-2-[3-keto-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] ester Formula: C22H23F3N2O4 MolecularWeight: 436.42423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)N4CC(=O)NC5=C4C=CC(=C5)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)N4CC(=O)NC5=C4C=CC(=C5)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O4/c23-22(24,25)15-1-2-17-16(6-15)26-18(28)10-27(17)19(29)11-31-20(30)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,12-14H,3-5,7-11H2,(H,26,28)