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

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-1-(2-bromoethyl)-2-pentyl-pyrrolidine-3-carboxylate Openeye Name: methyl 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-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C20H28BrNO4 MolecularWeight: 426.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(CN1CCBr)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCCCCC1C(C(CN1CCBr)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C20H28BrNO4/c1-3-4-5-6-16-19(20(23)24-2)15(12-22(16)10-9-21)14-7-8-17-18(11-14)26-13-25-17/h7-8,11,15-16,19H,3-6,9-10,12-13H2,1-2H3