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

Systemtic Name: 1-adamantylmethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: 1-adamantylmethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid 1-adamantylmethyl ester Formula: C21H23F3O2 MolecularWeight: 364.40133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3O2/c22-21(23,24)18-3-1-2-14(9-18)4-5-19(25)26-13-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,9,15-17H,6-8,10-13H2/b5-4+