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Details

Stereochemistry RACEMIC
Molecular Formula C26H37NO4
Molecular Weight 427.5763
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(HEXYLOXY)BENZILIC ACID 2-DIETHYLAMINOETHYL ESTER

SMILES

CCCCCCOC1=CC=C(C=C1)C(O)(C(=O)OCCN(CC)CC)C2=CC=CC=C2

InChI

InChIKey=VTQHDICZORLCQT-UHFFFAOYSA-N
InChI=1S/C26H37NO4/c1-4-7-8-12-20-30-24-17-15-23(16-18-24)26(29,22-13-10-9-11-14-22)25(28)31-21-19-27(5-2)6-3/h9-11,13-18,29H,4-8,12,19-21H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C26H37NO4
Molecular Weight 427.5763
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:34:19 GMT 2025
Edited
by admin
on Mon Mar 31 17:34:19 GMT 2025
Record UNII
AVX3SBZ79N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(HEXYLOXY)BENZILIC ACID 2-DIETHYLAMINOETHYL ESTER
Systematic Name English
BENZENEACETIC ACID, 4-(HEXYLOXY)-.ALPHA.-HYDROXY-.ALPHA.-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER
Preferred Name English
BENZILIC ACID, 4-(HEXYLOXY)-, 2-(DIETHYLAMINO)ETHYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
201539
Created by admin on Mon Mar 31 17:34:19 GMT 2025 , Edited by admin on Mon Mar 31 17:34:19 GMT 2025
PRIMARY
CAS
76-91-5
Created by admin on Mon Mar 31 17:34:19 GMT 2025 , Edited by admin on Mon Mar 31 17:34:19 GMT 2025
PRIMARY
FDA UNII
AVX3SBZ79N
Created by admin on Mon Mar 31 17:34:19 GMT 2025 , Edited by admin on Mon Mar 31 17:34:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID50226899
Created by admin on Mon Mar 31 17:34:19 GMT 2025 , Edited by admin on Mon Mar 31 17:34:19 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY