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

Systemtic Name: ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(4-methylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-coumaran-5-yl-2-(p-tolyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-3-25-22(24)20-18(16-8-9-19-17(12-16)10-11-26-19)13-23-21(20)15-6-4-14(2)5-7-15/h4-9,12,18,20-21,23H,3,10-11,13H2,1-2H3/t18-,20-,21+/m1/s1