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Details

Stereochemistry ACHIRAL
Molecular Formula C17H15ClF3NO4
Molecular Weight 389.754
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (4E)-2-(3-chloro-5-cyanophenoxy)-5-ethoxy-3-(trifluoromethyl)-2,4-pentadienoate

SMILES

CCO\C=C\C(=C(OC1=CC(Cl)=CC(=C1)C#N)C(=O)OCC)C(F)(F)F

InChI

InChIKey=BRQBJCKSGIDUQP-HBLIKVQQSA-N
InChI=1S/C17H15ClF3NO4/c1-3-24-6-5-14(17(19,20)21)15(16(23)25-4-2)26-13-8-11(10-22)7-12(18)9-13/h5-9H,3-4H2,1-2H3/b6-5+,15-14+

HIDE SMILES / InChI

Molecular Formula C17H15ClF3NO4
Molecular Weight 389.754
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:42 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:42 GMT 2025
Record UNII
7JK8TW6SCH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Doravirine diene intermediate
Preferred Name English
Ethyl (4E)-2-(3-chloro-5-cyanophenoxy)-5-ethoxy-3-(trifluoromethyl)-2,4-pentadienoate
Systematic Name English
2,4-Pentadienoic acid, 2-(3-chloro-5-cyanophenoxy)-5-ethoxy-3-(trifluoromethyl)-, ethyl ester, (4E)-
Systematic Name English
Code System Code Type Description
FDA UNII
7JK8TW6SCH
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
PRIMARY
CAS
1613307-28-0
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
PRIMARY
CAS
2054541-26-1
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
138984550
Created by admin on Wed Apr 02 21:23:42 GMT 2025 , Edited by admin on Wed Apr 02 21:23:42 GMT 2025
PRIMARY