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

Systemtic Name: tert-butyl (2R,3R)-3-fluoranyl-2-(4-methoxyphenyl)-4-oxidanylidene-2H-chromene-3-carboxylate Openeye Name: tert-butyl (2R,3R)-3-fluoro-2-(4-methoxyphenyl)-4-oxo-chromane-3-carboxylate CAS Name: (2R,3R)-3-fluoro-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-3-fluoro-2-(4-methoxyphenyl)-4-oxo-2H-chromene-3-carboxylate Traditional Name: (2R,3R)-3-fluoro-4-keto-2-(4-methoxyphenyl)chroman-3-carboxylic acid tert-butyl ester Formula: C21H21FO5 MolecularWeight: 372.386843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@]1([C@H](OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC)F

InChI

InChI=1S/C21H21FO5/c1-20(2,3)27-19(24)21(22)17(23)15-7-5-6-8-16(15)26-18(21)13-9-11-14(25-4)12-10-13/h5-12,18H,1-4H3/t18-,21+/m1/s1