ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoranyl-4-methyl-phenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(3-fluoro-4-methyl-phenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(3-fluoro-4-methylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-fluoro-4-methylphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-coumaran-5-yl-2-(3-fluoro-4-methyl-phenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H24FNO3 MolecularWeight: 369.429263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1C2=CC(=C(C=C2)C)F)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1C2=CC(=C(C=C2)C)F)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H24FNO3/c1-3-26-22(25)20-17(14-6-7-19-15(10-14)8-9-27-19)12-24-21(20)16-5-4-13(2)18(23)11-16/h4-7,10-11,17,20-21,24H,3,8-9,12H2,1-2H3/t17-,20-,21+/m1/s1