bromanylethane; (1-ethylpyrrolidin-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: bromanylethane; (1-ethylpyrrolidin-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: bromoethane; (1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: bromoethane; 2-hydroxy-2,2-diphenylacetic acid (1-ethyl-3-pyrrolidinyl) ester IUPAC Name: bromoethane; (1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate Traditional Name: bromoethane; 2-hydroxy-2,2-diphenyl-acetic acid (1-ethylpyrrolidin-3-yl) ester Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.CCBr

Isomeric SMILES

CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.CCBr

InChI

InChI=1S/C20H23NO3.C2H5Br/c1-2-21-14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-2-3/h3-12,18,23H,2,13-15H2,1H3;2H2,1H3