[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C23H27F3N2O4 MolecularWeight: 452.46669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27F3N2O4/c24-23(25,26)18-3-1-2-17(9-18)19(29)13-32-20(30)4-5-27-21(31)28-22-10-14-6-15(11-22)8-16(7-14)12-22/h1-3,9,14-16H,4-8,10-13H2,(H2,27,28,31)