3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel-

CAS Registry Number®

1956380-68-9

CAS Name

3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel-

Molecular Formula

C12H14BrNO2.ClH

Cite this Page

3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1956380-68-9 (retrieved 2024-12-12) (CAS RN: 1956380-68-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C12H14BrNO2.ClH/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8;/h2-5,10-11,14H,6-7H2,1H3;1H/t10-,11+;/s2

InChIKey

InChIKey=SFNPHXYXUPRECO-OGDSCFMUNA-N

SMILES

C(OC)(=O)[C@@H]1[C@H](CNC1)C2=CC=C(Br)C=C2.Cl

Canonical SMILES

Cl.O=C(OC)C1CNCC1C2=CC=C(Br)C=C2

Other Names for this Substance

  • 3-Pyrrolidinecarboxylic acid, 4-(4-bromophenyl)-, methyl ester, hydrochloride (1:1), (3R,4S)-rel-

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background