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

Systemtic Name: methyl (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-23-18(22)17-13(12-3-4-15-16(9-12)25-11-24-15)10-19-14(17)5-8-21-7-2-6-20-21/h2-4,6-7,9,13-14,17,19H,5,8,10-11H2,1H3/t13-,14+,17-/m1/s1