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Details

Stereochemistry MIXED
Molecular Formula C20H29NO3
Molecular Weight 331.4492
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of N-ETHYL-2-PYRROLIDYLMETHYL PHENYLCYCLOPENTYLGLYCOLATE

SMILES

CCN1CCCC1COC(=O)C(O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=QQJCHGFBFHJEGB-UHFFFAOYSA-N
InChI=1S/C20H29NO3/c1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H29NO3
Molecular Weight 331.4492
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:51:38 GMT 2023
Edited
by admin
on Sat Dec 16 14:51:38 GMT 2023
Record UNII
KJ5DSO5R52
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ETHYL-2-PYRROLIDYLMETHYL PHENYLCYCLOPENTYLGLYCOLATE
Systematic Name English
PYRROLIDYL ISOMER OF DITRAN
Common Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, (1-ETHYL-2-PYRROLIDINYL)METHYL ESTER
Systematic Name English
MANDELIC ACID, .ALPHA.-CYCLOPENTYL-, (1-ETHYL-2-PYRROLIDINYL)METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
16154
Created by admin on Sat Dec 16 14:51:38 GMT 2023 , Edited by admin on Sat Dec 16 14:51:38 GMT 2023
PRIMARY
FDA UNII
KJ5DSO5R52
Created by admin on Sat Dec 16 14:51:38 GMT 2023 , Edited by admin on Sat Dec 16 14:51:38 GMT 2023
PRIMARY
CAS
7199-05-5
Created by admin on Sat Dec 16 14:51:38 GMT 2023 , Edited by admin on Sat Dec 16 14:51:38 GMT 2023
PRIMARY
Related Record Type Details
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