U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C30H25N3O6
Molecular Weight 523.536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyanoacrylate

SMILES

COC(=O)C(\C#N)=C(/C#N)C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3

InChI

InChIKey=TWFWFZZEVCUZSW-CYYJNZCTSA-N
InChI=1S/C30H25N3O6/c1-37-30(36)27(21-32)26(20-31)22-12-14-25(15-13-22)33(16-18-38-28(34)23-8-4-2-5-9-23)17-19-39-29(35)24-10-6-3-7-11-24/h2-15H,16-19H2,1H3/b27-26+

HIDE SMILES / InChI

Molecular Formula C30H25N3O6
Molecular Weight 523.536
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 Tue Apr 01 19:26:12 GMT 2025
Edited
by admin
on Tue Apr 01 19:26:12 GMT 2025
Record UNII
R4Y7CMB6CR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 3-(4-(bis(2-(benzoyloxy)ethyl)amino)phenyl)-2,3-dicyanoacrylate
Systematic Name English
2-Propenoic acid, 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyano-, methyl ester
Preferred Name English
Methyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyano-2-propenoate
Systematic Name English
Code System Code Type Description
PUBCHEM
3034946
Created by admin on Tue Apr 01 19:26:12 GMT 2025 , Edited by admin on Tue Apr 01 19:26:12 GMT 2025
PRIMARY
FDA UNII
R4Y7CMB6CR
Created by admin on Tue Apr 01 19:26:12 GMT 2025 , Edited by admin on Tue Apr 01 19:26:12 GMT 2025
PRIMARY
CAS
63175-24-6
Created by admin on Tue Apr 01 19:26:12 GMT 2025 , Edited by admin on Tue Apr 01 19:26:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID5069758
Created by admin on Tue Apr 01 19:26:12 GMT 2025 , Edited by admin on Tue Apr 01 19:26:12 GMT 2025
PRIMARY
ECHA (EC/EINECS)
263-981-6
Created by admin on Tue Apr 01 19:26:12 GMT 2025 , Edited by admin on Tue Apr 01 19:26:12 GMT 2025
PRIMARY