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

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-cyclopropylidenepropyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-cyclopropylidenepropyl)pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-cyclopropylidenepropyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-cyclopropylidenepropyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(3-cyclopropylidenepropyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1CCC=C2CC2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCC=C2CC2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25NO4/c1-2-23-20(22)19-15(11-21-16(19)5-3-4-13-6-7-13)14-8-9-17-18(10-14)25-12-24-17/h4,8-10,15-16,19,21H,2-3,5-7,11-12H2,1H3/t15-,16+,19-/m1/s1