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

Systemtic Name: 2-(1-adamantyl)ethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: 2-(1-adamantyl)ethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid 2-(1-adamantyl)ethyl ester Formula: C22H25F3O2 MolecularWeight: 378.42791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)/C=C/C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H25F3O2/c23-22(24,25)19-3-1-2-15(11-19)4-5-20(26)27-7-6-21-12-16-8-17(13-21)10-18(9-16)14-21/h1-5,11,16-18H,6-10,12-14H2/b5-4+