2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl 3-(trifluoromethyl)benzoate

Systemtic Name: 2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl 3-(trifluoromethyl)benzoate Openeye Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid 2-[[1-oxo-2-(2-phenyl-2-adamantyl)ethyl]amino]ethyl ester IUPAC Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl ester Formula: C28H30F3NO3 MolecularWeight: 485.53791

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C28H30F3NO3/c29-28(30,31)22-8-4-5-20(16-22)26(34)35-10-9-32-25(33)17-27(21-6-2-1-3-7-21)23-12-18-11-19(14-23)15-24(27)13-18/h1-8,16,18-19,23-24H,9-15,17H2,(H,32,33)