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Details

Stereochemistry ACHIRAL
Molecular Formula C20H31NO2
Molecular Weight 317.4656
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-171990 FREE BASE

SMILES

CC(C)N(CCOC(=O)C1(CCCC1)C2=CC=CC=C2)C(C)C

InChI

InChIKey=CDOAUGFBZWTVEJ-UHFFFAOYSA-N
InChI=1S/C20H31NO2/c1-16(2)21(17(3)4)14-15-23-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11,16-17H,8-9,12-15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C20H31NO2
Molecular Weight 317.4656
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 21:38:48 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:48 GMT 2025
Record UNII
8AR4YL4Y86
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-171990 FREE BASE
Common Name English
2'-DIISOPROPYLAMINOETHYL 1-PHENYLCYCLOPENTANECARBOXYLATE
Preferred Name English
CYCLOPENTANECARBOXYLIC ACID, 1-PHENYL-, 2-(BIS(1-METHYLETHYL)AMINO)ETHYL ESTER
Systematic Name English
ETHANOL, 2-(DIISOPROPYLAMINO)-, 1-PHENYLCYCLOPENTANECARBOXYLATE (ESTER)
Systematic Name English
CYCLOPENTANECARBOXYLIC ACID, 1-PHENYL-, 2-(DIISOPROPYLAMINO)ETHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
29885-22-1
Created by admin on Mon Mar 31 21:38:48 GMT 2025 , Edited by admin on Mon Mar 31 21:38:48 GMT 2025
PRIMARY
FDA UNII
8AR4YL4Y86
Created by admin on Mon Mar 31 21:38:48 GMT 2025 , Edited by admin on Mon Mar 31 21:38:48 GMT 2025
PRIMARY
PUBCHEM
9926990
Created by admin on Mon Mar 31 21:38:48 GMT 2025 , Edited by admin on Mon Mar 31 21:38:48 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY