ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-propoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C25H30BrNO5 MolecularWeight: 504.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(CN2CCBr)C3=CC4=C(C=C3)OCO4)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C(C(CN2CCBr)C3=CC4=C(C=C3)OCO4)C(=O)OCC

InChI

InChI=1S/C25H30BrNO5/c1-3-13-30-19-8-5-17(6-9-19)24-23(25(28)29-4-2)20(15-27(24)12-11-26)18-7-10-21-22(14-18)32-16-31-21/h5-10,14,20,23-24H,3-4,11-13,15-16H2,1-2H3