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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1C2=CC=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1C2=CC=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4

InChI

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