ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-ethoxy-3-fluoranyl-phenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-ethoxy-3-fluoranyl-phenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-ethoxy-3-fluoro-phenyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-ethoxy-3-fluorophenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-ethoxy-3-fluorophenyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-ethoxy-3-fluoro-phenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C24H27BrFNO5 MolecularWeight: 508.377283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(C(CN2CCBr)C3=CC4=C(C=C3)OCO4)C(=O)OCC)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(C(CN2CCBr)C3=CC4=C(C=C3)OCO4)C(=O)OCC)F

InChI

InChI=1S/C24H27BrFNO5/c1-3-29-19-7-6-16(11-18(19)26)23-22(24(28)30-4-2)17(13-27(23)10-9-25)15-5-8-20-21(12-15)32-14-31-20/h5-8,11-12,17,22-23H,3-4,9-10,13-14H2,1-2H3