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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H17NO3
Molecular Weight 355.386
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 4'-(2-BENZOXAZOLYL)-4-STILBENECARBOXYLATE

SMILES

COC(=O)C1=CC=C(\C=C\C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)C=C1

InChI

InChIKey=PQENDJMQROQKKU-VOTSOKGWSA-N
InChI=1S/C23H17NO3/c1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22/h2-15H,1H3/b7-6+

HIDE SMILES / InChI

Molecular Formula C23H17NO3
Molecular Weight 355.386
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 Fri Dec 15 17:51:48 GMT 2023
Edited
by admin
on Fri Dec 15 17:51:48 GMT 2023
Record UNII
DM39J122BA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 4'-(2-BENZOXAZOLYL)-4-STILBENECARBOXYLATE
Systematic Name English
METHYL 4-(2-BENZOXAZOLYL)STILBENE-4'-CARBOXYLATE
Systematic Name English
BENZOIC ACID, 4-(2-(4-(2-BENZOXAZOLYL)PHENYL)ETHENYL)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
DM39J122BA
Created by admin on Fri Dec 15 17:51:48 GMT 2023 , Edited by admin on Fri Dec 15 17:51:48 GMT 2023
PRIMARY
PUBCHEM
6438096
Created by admin on Fri Dec 15 17:51:48 GMT 2023 , Edited by admin on Fri Dec 15 17:51:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
251-865-8
Created by admin on Fri Dec 15 17:51:48 GMT 2023 , Edited by admin on Fri Dec 15 17:51:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID3067819
Created by admin on Fri Dec 15 17:51:48 GMT 2023 , Edited by admin on Fri Dec 15 17:51:48 GMT 2023
PRIMARY
CAS
34180-85-3
Created by admin on Fri Dec 15 17:51:48 GMT 2023 , Edited by admin on Fri Dec 15 17:51:48 GMT 2023
PRIMARY