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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=CC=C2C=CN(C3CCN(CCC4=C(OC)C=CC5=C4OC(C)(C)CC5=O)CC3)C2=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 Sat Dec 16 18:06:22 GMT 2023
Edited
by admin
on Sat Dec 16 18:06:22 GMT 2023
Record UNII
K2GV9632S9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-2110 FREE BASE
Common 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
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
Systematic Name English
Code System Code Type Description
CAS
869561-30-8
Created by admin on Sat Dec 16 18:06:23 GMT 2023 , Edited by admin on Sat Dec 16 18:06:23 GMT 2023
PRIMARY
FDA UNII
K2GV9632S9
Created by admin on Sat Dec 16 18:06:23 GMT 2023 , Edited by admin on Sat Dec 16 18:06:23 GMT 2023
PRIMARY
PUBCHEM
11677552
Created by admin on Sat Dec 16 18:06:23 GMT 2023 , Edited by admin on Sat Dec 16 18:06:23 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY