tert-butyl (2R,3R)-3-fluoranyl-2-(4-methylphenyl)-4-oxidanylidene-2H-chromene-3-carboxylate

Systemtic Name: tert-butyl (2R,3R)-3-fluoranyl-2-(4-methylphenyl)-4-oxidanylidene-2H-chromene-3-carboxylate Openeye Name: tert-butyl (2R,3R)-3-fluoro-4-oxo-2-(p-tolyl)chromane-3-carboxylate CAS Name: (2R,3R)-3-fluoro-2-(4-methylphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-3-fluoro-2-(4-methylphenyl)-4-oxo-2H-chromene-3-carboxylate Traditional Name: (2R,3R)-3-fluoro-4-keto-2-(p-tolyl)chroman-3-carboxylic acid tert-butyl ester Formula: C21H21FO4 MolecularWeight: 356.387443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)C3=CC=CC=C3O2)(C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@](C(=O)C3=CC=CC=C3O2)(C(=O)OC(C)(C)C)F

InChI

InChI=1S/C21H21FO4/c1-13-9-11-14(12-10-13)18-21(22,19(24)26-20(2,3)4)17(23)15-7-5-6-8-16(15)25-18/h5-12,18H,1-4H3/t18-,21+/m1/s1