1,1-Dimethylethyl 3-[(3-bromophenyl)cyanomethyl]-1-pyrrolidinecarboxylate

CAS Registry Number®

1824023-58-6
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CAS Name

1,1-Dimethylethyl 3-[(3-bromophenyl)cyanomethyl]-1-pyrrolidinecarboxylate

Molecular Formula

C17H21BrN2O2

Molecular Mass

365.26

Cite this Page

1,1-Dimethylethyl 3-[(3-bromophenyl)cyanomethyl]-1-pyrrolidinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1824023-58-6 (retrieved 2024-09-11) (CAS RN: 1824023-58-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21BrN2O2/c1-17(2,3)22-16(21)20-8-7-13(11-20)15(10-19)12-5-4-6-14(18)9-12/h4-6,9,13,15H,7-8,11H2,1-3H3

InChIKey

InChIKey=KGOFAXQVSKRADS-UHFFFAOYSA-N

SMILES

C(C#N)(C1CN(C(OC(C)(C)C)=O)CC1)C2=CC(Br)=CC=C2

Canonical SMILES

N#CC(C=1C=CC=C(Br)C1)C2CN(C(=O)OC(C)(C)C)CC2

Other Names for this Substance

  • 1-Pyrrolidinecarboxylic acid, 3-[(3-bromophenyl)cyanomethyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3-[(3-bromophenyl)cyanomethyl]-1-pyrrolidinecarboxylate