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

Systemtic Name: ethyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-3-25-21(23)19-16(14-6-9-17-18(10-14)27-12-26-17)11-22-20(19)13-4-7-15(24-2)8-5-13/h4-10,16,19-20,22H,3,11-12H2,1-2H3/t16-,19+,20+/m1/s1