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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24O2
Molecular Weight 308.4141
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL (4E)-7-(1,1′-BIPHENYL)-4-YL-4-HEPTENOATE

SMILES

CCOC(=O)CC\C=C\CCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=KGZDPBVMKVJUAR-ONEGZZNKSA-N
InChI=1S/C21H24O2/c1-2-23-21(22)13-9-4-3-6-10-18-14-16-20(17-15-18)19-11-7-5-8-12-19/h3-5,7-8,11-12,14-17H,2,6,9-10,13H2,1H3/b4-3+

HIDE SMILES / InChI

Molecular Formula C21H24O2
Molecular Weight 308.4141
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 18:16:48 GMT 2023
Edited
by admin
on Sat Dec 16 18:16:48 GMT 2023
Record UNII
RK7L4XP4DA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL (4E)-7-(1,1′-BIPHENYL)-4-YL-4-HEPTENOATE
Systematic Name English
IBI-221
Code English
4-Heptenoic acid, 7-[1,1′-biphenyl]-4-yl-, ethyl ester, (4E)-
Systematic Name English
IBI221
Code English
Code System Code Type Description
CAS
477327-26-7
Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023
PRIMARY
PUBCHEM
59118337
Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023
PRIMARY
FDA UNII
RK7L4XP4DA
Created by admin on Sat Dec 16 18:16:48 GMT 2023 , Edited by admin on Sat Dec 16 18:16:48 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY