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

Systemtic Name: ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-coumaran-5-yl-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-3-26-22(24)20-18(15-6-9-19-16(12-15)10-11-27-19)13-23-21(20)14-4-7-17(25-2)8-5-14/h4-9,12,18,20-21,23H,3,10-11,13H2,1-2H3/t18-,20-,21+/m1/s1