[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C22H24F3NO4 MolecularWeight: 423.42547

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H24F3NO4/c23-22(24,25)17-3-1-2-16(7-17)18(27)12-30-19(28)11-26-20(29)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15H,4-6,8-12H2,(H,26,29)