rel-Butyl 6-bromo-4-[(3aR,7aS)-octahydro-3a,7a-dimethyl-2H-isoindol-2-yl]-2-quinolinecarboxylate

CAS Registry Number®

1951439-86-3

CAS Name

rel-Butyl 6-bromo-4-[(3aR,7aS)-octahydro-3a,7a-dimethyl-2H-isoindol-2-yl]-2-quinolinecarboxylate

Molecular Formula

C24H31BrN2O2

Molecular Mass

459.42

Cite this Page

rel-Butyl 6-bromo-4-[(3aR,7aS)-octahydro-3a,7a-dimethyl-2H-isoindol-2-yl]-2-quinolinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1951439-86-3 (retrieved 2024-11-26) (CAS RN: 1951439-86-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C24H31BrN2O2/c1-4-5-12-29-22(28)20-14-21(18-13-17(25)8-9-19(18)26-20)27-15-23(2)10-6-7-11-24(23,3)16-27/h8-9,13-14H,4-7,10-12,15-16H2,1-3H3/t23-,24+

InChIKey

InChIKey=BRLFIBLWGQYHOO-PSWAGMNNNA-N

SMILES

C[C@]12CN(C[C@@]1(C)CCCC2)C=3C4=C(N=C(C(OCCCC)=O)C3)C=CC(Br)=C4

Canonical SMILES

O=C(OCCCC)C1=NC=2C=CC(Br)=CC2C(=C1)N3CC4(C)CCCCC4(C)C3

Other Names for this Substance

  • 2-Quinolinecarboxylic acid, 6-bromo-4-[(3aR,7aS)-octahydro-3a,7a-dimethyl-2H-isoindol-2-yl]-, butyl ester, rel-
  • rel-Butyl 6-bromo-4-[(3aR,7aS)-octahydro-3a,7a-dimethyl-2H-isoindol-2-yl]-2-quinolinecarboxylate

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