4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pyrrolidine-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-phenyl)pyrrolidine-3-carboxylate Formula: C19H17FNO5- MolecularWeight: 358.340383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)[O-])F

InChI

InChI=1S/C19H18FNO5/c1-24-14-4-3-11(6-13(14)20)18-17(19(22)23)12(8-21-18)10-2-5-15-16(7-10)26-9-25-15/h2-7,12,17-18,21H,8-9H2,1H3,(H,22,23)/p-1