[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: 3-[3-(trifluoromethyl)phenyl]-2-propenoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: 3-[3-(trifluoromethyl)phenyl]acrylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H23F3O3 MolecularWeight: 392.41143

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H23F3O3/c23-22(24,25)18-3-1-2-14(9-18)4-5-20(27)28-13-19(26)21-10-15-6-16(11-21)8-17(7-15)12-21/h1-5,9,15-17H,6-8,10-13H2