tert-butyl (2R,3R)-3-fluoranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-2H-chromene-3-carboxylate

Systemtic Name: tert-butyl (2R,3R)-3-fluoranyl-7-methyl-2-(4-methylphenyl)-4-oxidanylidene-2H-chromene-3-carboxylate Openeye Name: tert-butyl (2R,3R)-3-fluoro-7-methyl-4-oxo-2-(p-tolyl)chromane-3-carboxylate CAS Name: (2R,3R)-3-fluoro-7-methyl-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-7-methyl-2-(4-methylphenyl)-4-oxo-2H-chromene-3-carboxylate Traditional Name: (2R,3R)-3-fluoro-4-keto-7-methyl-2-(p-tolyl)chroman-3-carboxylic acid tert-butyl ester Formula: C22H23FO4 MolecularWeight: 370.414023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)C3=C(O2)C=C(C=C3)C)(C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@](C(=O)C3=C(O2)C=C(C=C3)C)(C(=O)OC(C)(C)C)F

InChI

InChI=1S/C22H23FO4/c1-13-6-9-15(10-7-13)19-22(23,20(25)27-21(3,4)5)18(24)16-11-8-14(2)12-17(16)26-19/h6-12,19H,1-5H3/t19-,22+/m1/s1