U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C29H35N3O4
Molecular Weight 489.6059
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of E-2110 FREE BASE

SMILES

CNC(=O)C1=CC2=C(C=CN2C3CCN(CCC4=C5OC(C)(C)CC(=O)C5=CC=C4OC)CC3)C=C1

InChI

InChIKey=KRKZTSDKJPIHBI-UHFFFAOYSA-N
InChI=1S/C29H35N3O4/c1-29(2)18-25(33)22-7-8-26(35-4)23(27(22)36-29)12-15-31-13-10-21(11-14-31)32-16-9-19-5-6-20(17-24(19)32)28(34)30-3/h5-9,16-17,21H,10-15,18H2,1-4H3,(H,30,34)

HIDE SMILES / InChI

Molecular Formula C29H35N3O4
Molecular Weight 489.6059
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 Wed Apr 02 10:07:11 GMT 2025
Edited
by admin
on Wed Apr 02 10:07:11 GMT 2025
Record UNII
K2GV9632S9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-2110 FREE BASE
Common Name English
1-(1-(2-(3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-4-OXO-2H-1-BENZOPYRAN-8-YL)ETHYL)-4-PIPERIDINYL)-N-METHYL-1H-INDOLE-6-CARBOXAMIDE
Preferred Name English
1-(1-(2-(7-METHOXY-2,2-DIMETHYL-4-OXO-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-YL)ETHYL)PIPERIDIN-4-YL)-N-METHYL-1H-INDOLE-6-CARBOXAMIDE
Systematic Name English
1H-INDOLE-6-CARBOXAMIDE, 1-(1-(2-(3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-4-OXO-2H-1-BENZOPYRAN-8-YL)ETHYL)-4-PIPERIDINYL)-N-METHYL-
Systematic Name English
Code System Code Type Description
CAS
869561-30-8
Created by admin on Wed Apr 02 10:07:11 GMT 2025 , Edited by admin on Wed Apr 02 10:07:11 GMT 2025
PRIMARY
FDA UNII
K2GV9632S9
Created by admin on Wed Apr 02 10:07:11 GMT 2025 , Edited by admin on Wed Apr 02 10:07:11 GMT 2025
PRIMARY
PUBCHEM
11677552
Created by admin on Wed Apr 02 10:07:11 GMT 2025 , Edited by admin on Wed Apr 02 10:07:11 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY