[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-fluorophenyl)acrylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H21FO3 MolecularWeight: 340.388043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=CC=C2F

InChI

InChI=1S/C21H21FO3/c1-21(2,3)17-11-8-16(9-12-17)19(23)14-25-20(24)13-10-15-6-4-5-7-18(15)22/h4-13H,14H2,1-3H3/b13-10+