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

Systemtic Name: 2-adamantyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: 2-adamantyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 2-adamantyl ester IUPAC Name: 2-adamantyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid 2-adamantyl ester Formula: C20H21F3O2 MolecularWeight: 350.37475

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)C=CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)/C=C/C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3O2/c21-20(22,23)17-3-1-2-12(11-17)4-5-18(24)25-19-15-7-13-6-14(9-15)10-16(19)8-13/h1-5,11,13-16,19H,6-10H2/b5-4+