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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-pentyl-pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-pentyl-pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-pentyl-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-pentylpyrrolidine-3-carboxylate Traditional Name: 2-amyl-4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)pyrrolidine-3-carboxylate Formula: C19H25BrNO4- MolecularWeight: 411.3101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(CN1CCBr)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CCCCCC1C(C(CN1CCBr)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C19H26BrNO4/c1-2-3-4-5-15-18(19(22)23)14(11-21(15)9-8-20)13-6-7-16-17(10-13)25-12-24-16/h6-7,10,14-15,18H,2-5,8-9,11-12H2,1H3,(H,22,23)/p-1