(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: 3-(5-bromo-2-fluorophenyl)-2-propenoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: 3-(5-bromo-2-fluoro-phenyl)acrylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C22H24BrFO2 MolecularWeight: 419.327163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=C(C=CC(=C2)Br)F)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C=CC2=C(C=CC(=C2)Br)F)C)C(C)(C)C

InChI

InChI=1S/C22H24BrFO2/c1-14-10-17(22(3,4)5)11-15(2)19(14)13-26-21(25)9-6-16-12-18(23)7-8-20(16)24/h6-12H,13H2,1-5H3