ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2)C3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C23H27NO5/c1-3-11-27-17-8-5-15(6-9-17)22-21(23(25)26-4-2)18(13-24-22)16-7-10-19-20(12-16)29-14-28-19/h5-10,12,18,21-22,24H,3-4,11,13-14H2,1-2H3/t18-,21-,22+/m1/s1