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

Systemtic Name: ethyl (2R,3S,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-ethylphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3S,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(4-ethylphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3S,4S)-4-(2,3-dihydrobenzofuran-5-yl)-2-(4-ethylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-ethylphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3S,4S)-4-coumaran-5-yl-2-(4-ethylphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2[C@H]([C@H](CN2)C3=CC4=C(C=C3)OCC4)C(=O)OCC

InChI

InChI=1S/C23H27NO3/c1-3-15-5-7-16(8-6-15)22-21(23(25)26-4-2)19(14-24-22)17-9-10-20-18(13-17)11-12-27-20/h5-10,13,19,21-22,24H,3-4,11-12,14H2,1-2H3/t19-,21+,22+/m1/s1