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

Systemtic Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylate CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-[2-(1-pyrazolyl)ethyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1CCN2C=CC=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCN2C=CC=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O4/c1-2-24-19(23)18-14(13-4-5-16-17(10-13)26-12-25-16)11-20-15(18)6-9-22-8-3-7-21-22/h3-5,7-8,10,14-15,18,20H,2,6,9,11-12H2,1H3/t14-,15+,18-/m1/s1