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

Details

Stereochemistry ACHIRAL
Molecular Formula C28H27NO4
Molecular Weight 441.5183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-2H-1-BENZOPYRAN-2-ONE

SMILES

COC1=CC=C2C(OC(=O)C(C3=CC=CC=C3)=C2C4=CC=C(OCCN5CCCC5)C=C4)=C1

InChI

InChIKey=WVIZWBKWFUJILJ-UHFFFAOYSA-N
InChI=1S/C28H27NO4/c1-31-23-13-14-24-25(19-23)33-28(30)27(20-7-3-2-4-8-20)26(24)21-9-11-22(12-10-21)32-18-17-29-15-5-6-16-29/h2-4,7-14,19H,5-6,15-18H2,1H3

HIDE SMILES / InChI

Molecular Formula C28H27NO4
Molecular Weight 441.5183
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:08:49 GMT 2025
Edited
by admin
on Mon Mar 31 22:08:49 GMT 2025
Record UNII
EY2Y929X1U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-
Preferred Name English
Code System Code Type Description
FDA UNII
EY2Y929X1U
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID70229483
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY
CAS
78994-30-6
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY
PUBCHEM
3061337
Created by admin on Mon Mar 31 22:08:49 GMT 2025 , Edited by admin on Mon Mar 31 22:08:49 GMT 2025
PRIMARY