JXL-069

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H11F6N3O2
Molecular Weight	439.3107
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(=C\C1=CN(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=CC=C13)\C#N

InChI

InChIKey=IGVIZFSCSSEYDA-WUXMJOGZSA-N

InChI=1S/C20H11F6N3O2/c21-19(22,23)14-4-11(5-15(7-14)20(24,25)26)9-29-10-13(6-12(8-27)18(30)31)16-2-1-3-28-17(16)29/h1-7,10H,9H2,(H,30,31)/b12-6+

HIDE SMILES / InChI

Molecular Formula	C20H11F6N3O2
Molecular Weight	439.3107
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:00:29 GMT 2023` Edited by `admin` on `Sat Dec 16 20:00:29 GMT 2023`
Record UNII	NPC95AG9EF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JXL-069

Code

English

JXL069

Code

English

(2E)-3-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyano-2-propenoic acid

Systematic Name

English

(2E)-3-(1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-cyanoprop-2-enoic acid

Systematic Name

English

2-Propenoic acid, 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-cyano-, (2E)-

Systematic Name

English

Code System Code Type Description

CAS

2260696-63-5

Created by admin on Sat Dec 16 20:00:29 GMT 2023 , Edited by admin on Sat Dec 16 20:00:29 GMT 2023

PRIMARY

PUBCHEM

137374808

Created by admin on Sat Dec 16 20:00:29 GMT 2023 , Edited by admin on Sat Dec 16 20:00:29 GMT 2023

PRIMARY

FDA UNII

NPC95AG9EF

Created by admin on Sat Dec 16 20:00:29 GMT 2023 , Edited by admin on Sat Dec 16 20:00:29 GMT 2023

PRIMARY

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