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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O4
Molecular Weight 250.2903
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIETHYL 2-BENZYLPROPANEDIOATE

SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

InChI

InChIKey=ICZLTZWATFXDLP-UHFFFAOYSA-N
InChI=1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H18O4
Molecular Weight 250.2903
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Diethyl 2-[phen-yl(pyrazol-1-yl)meth-yl]propane-dioate.
2010 Apr 2
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:25:55 GMT 2023
Edited
by admin
on Fri Dec 15 20:25:55 GMT 2023
Record UNII
40Y0X0XN6P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIETHYL 2-BENZYLPROPANEDIOATE
Systematic Name English
MALONIC ACID, 2-BENZYL-, DIETHYL ESTER
Systematic Name English
BENZYLMALONIC ACID DIETHYL ESTER
Systematic Name English
PROPANEDIOIC ACID, (PHENYLMETHYL)-, DIETHYL ESTER
Systematic Name English
(PHENYLMETHYL)PROPANEDIOIC ACID DIETHYL ESTER
Systematic Name English
2-BENZYLMALONIC ACID DIETHYL ESTER
Systematic Name English
NSC-8720
Code English
NSC-41169
Code English
NSC-631631
Code English
DIETHYL 2-BENZYLMALONATE
Systematic Name English
MALONIC ACID, BENZYL-, DIETHYL ESTER
Systematic Name English
PROPANEDIOIC ACID, 2-(PHENYLMETHYL)-, 1,3-DIETHYL ESTER
Common Name English
1,1-BIS(ETHOXYCARBONYL)-2-PHENYLETHANE
Systematic Name English
DIETHYL BENZYLMALONATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-142-7
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
NSC
41169
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
FDA UNII
40Y0X0XN6P
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID4022078
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
NSC
631631
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
CAS
607-81-8
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
NSC
8720
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY
PUBCHEM
69090
Created by admin on Fri Dec 15 20:25:55 GMT 2023 , Edited by admin on Fri Dec 15 20:25:55 GMT 2023
PRIMARY