methyl (2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1CC2=C(NN=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O4/c1-22-17(21)13-3-2-6-20(13)9-12-8-18-19-16(12)11-4-5-14-15(7-11)24-10-23-14/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,18,19)/t13-/m0/s1