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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23ClFNO5
Molecular Weight 435.873
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of E-3030 FREE ACID

SMILES

CC(C)O[C@@H](CC1=CC=CC(OC[C@H](F)COC2=CC=C(Cl)C=C2C#N)=C1)C(O)=O

InChI

InChIKey=QICKBMIIFBKLBR-RXVVDRJESA-N
InChI=1S/C22H23ClFNO5/c1-14(2)30-21(22(26)27)9-15-4-3-5-19(8-15)28-12-18(24)13-29-20-7-6-17(23)10-16(20)11-25/h3-8,10,14,18,21H,9,12-13H2,1-2H3,(H,26,27)/t18-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H23ClFNO5
Molecular Weight 435.873
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:53:44 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:44 GMT 2023
Record UNII
029U06V15C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-3030 FREE ACID
Common Name English
(2S)-3-(3-((2S)-3-(4-CHLORO-2-CYANOPHENOXY)-2-FLUOROPROPOXY)PHENYL)-2-ISOPROPOXYPROPIONIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, 3-((2S)-3-(4-CHLORO-2-CYANOPHENOXY)-2-FLUOROPROPOXY)-.ALPHA.-(1-METHYLETHOXY)-, (.ALPHA.S)-
Systematic Name English
E3030 FREE ACID
Code English
Code System Code Type Description
PUBCHEM
11949482
Created by admin on Sat Dec 16 10:53:44 GMT 2023 , Edited by admin on Sat Dec 16 10:53:44 GMT 2023
PRIMARY
CAS
478926-45-3
Created by admin on Sat Dec 16 10:53:44 GMT 2023 , Edited by admin on Sat Dec 16 10:53:44 GMT 2023
PRIMARY
FDA UNII
029U06V15C
Created by admin on Sat Dec 16 10:53:44 GMT 2023 , Edited by admin on Sat Dec 16 10:53:44 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY