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

Systemtic Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-p-phenetyl-pyrrolidine-3-carboxylic acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2[C@@H]([C@H](CN2)C3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C22H25NO5/c1-3-25-16-8-5-14(6-9-16)21-20(22(24)26-4-2)17(12-23-21)15-7-10-18-19(11-15)28-13-27-18/h5-11,17,20-21,23H,3-4,12-13H2,1-2H3/t17-,20-,21+/m1/s1