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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H24N2O6
Molecular Weight 388.4144
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-2-propenoate

SMILES

COC(=O)C(=C\C1=CC=C(C=C1C)N(CCOC(C)=O)CCOC(C)=O)\C#N

InChI

InChIKey=IJSRGFRRTNHCNS-LDADJPATSA-N
InChI=1S/C20H24N2O6/c1-14-11-19(6-5-17(14)12-18(13-21)20(25)26-4)22(7-9-27-15(2)23)8-10-28-16(3)24/h5-6,11-12H,7-10H2,1-4H3/b18-12+

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-2-propenoate
Systematic Name English
2-Propenoic acid, 3-[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]-2-cyano-, methyl ester
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID0068868
Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025
PRIMARY
CAS
53554-75-9
Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025
PRIMARY
ECHA (EC/EINECS)
258-624-6
Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025
PRIMARY
FDA UNII
KX9DBW4L65
Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025
PRIMARY
PUBCHEM
103805
Created by admin on Tue Apr 01 19:11:52 GMT 2025 , Edited by admin on Tue Apr 01 19:11:52 GMT 2025
PRIMARY