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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propylpyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-propyl-pyrrolidine-3-carboxylic acid Formula: C17H22BrNO4 MolecularWeight: 384.26488

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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)