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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H23NO2
Molecular Weight 369.4556
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-CYANOPHENYL (S)-4'-(2-METHYLBUTYL)(1,1'-BIPHENYL)-4-CARBOXYLATE

SMILES

CC[C@H](C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChIKey=KSTDUUFIIKDDDT-SFHVURJKSA-N
InChI=1S/C25H23NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h4-15,18H,3,16H2,1-2H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H23NO2
Molecular Weight 369.4556
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:29:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:49 GMT 2025
Record UNII
UYT70Q8Z0P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 4'-((2S)-2-METHYLBUTYL)-, 4-CYANOPHENYL ESTER
Preferred Name English
4-CYANOPHENYL (S)-4'-(2-METHYLBUTYL)(1,1'-BIPHENYL)-4-CARBOXYLATE
Systematic Name English
4-CYANOPHENYL 4'-((2S)-2-METHYLBUTYL)(1,1'-BIPHENYL)-4-CARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
62614-51-1
Created by admin on Tue Apr 01 19:29:49 GMT 2025 , Edited by admin on Tue Apr 01 19:29:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
263-641-7
Created by admin on Tue Apr 01 19:29:49 GMT 2025 , Edited by admin on Tue Apr 01 19:29:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID30211662
Created by admin on Tue Apr 01 19:29:49 GMT 2025 , Edited by admin on Tue Apr 01 19:29:49 GMT 2025
PRIMARY
PUBCHEM
6454435
Created by admin on Tue Apr 01 19:29:49 GMT 2025 , Edited by admin on Tue Apr 01 19:29:49 GMT 2025
PRIMARY
FDA UNII
UYT70Q8Z0P
Created by admin on Tue Apr 01 19:29:49 GMT 2025 , Edited by admin on Tue Apr 01 19:29:49 GMT 2025
PRIMARY