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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(3,4-dimethoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C24H28BrNO6 MolecularWeight: 506.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CN(C1C2=CC(=C(C=C2)OC)OC)CCBr)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1C(CN(C1C2=CC(=C(C=C2)OC)OC)CCBr)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28BrNO6/c1-4-30-24(27)22-17(15-5-8-19-21(11-15)32-14-31-19)13-26(10-9-25)23(22)16-6-7-18(28-2)20(12-16)29-3/h5-8,11-12,17,22-23H,4,9-10,13-14H2,1-3H3