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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propylpyrrolidine-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-pyrrolidine-3-carboxylate Formula: C17H21BrNO4- MolecularWeight: 383.25694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(CN1CCBr)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CCCC1C(C(CN1CCBr)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C17H22BrNO4/c1-2-3-13-16(17(20)21)12(9-19(13)7-6-18)11-4-5-14-15(8-11)23-10-22-14/h4-5,8,12-13,16H,2-3,6-7,9-10H2,1H3,(H,20,21)/p-1