[1-(4-tert-butylphenyl)-2-fluoranyl-ethyl] 2,2-dimethylchromene-6-carboxylate

Systemtic Name: [1-(4-tert-butylphenyl)-2-fluoranyl-ethyl] 2,2-dimethylchromene-6-carboxylate Openeye Name: [1-(4-tert-butylphenyl)-2-fluoranyl-ethyl] 2,2-dimethylchromene-6-carboxylate CAS Name: 2,2-dimethyl-1-benzopyran-6-carboxylic acid [1-(4-tert-butylphenyl)-2-fluoranylethyl] ester IUPAC Name: [1-(4-tert-butylphenyl)-2-fluoranylethyl] 2,2-dimethylchromene-6-carboxylate Traditional Name: 2,2-dimethylchromene-6-carboxylic acid [1-(4-tert-butylphenyl)-2-fluoranyl-ethyl] ester Formula: C24H27FO3 MolecularWeight: 381.470318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2)C(=O)OC(CF)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2)C(=O)OC(C[18F])C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C24H27FO3/c1-23(2,3)19-9-6-16(7-10-19)21(15-25)27-22(26)18-8-11-20-17(14-18)12-13-24(4,5)28-20/h6-14,21H,15H2,1-5H3/i25-1