4-Cyanophenyl 4-heptylbenzoate

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23NO2
Molecular Weight	321.4128
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Cyanophenyl 4-heptylbenzoate

Structure Search

SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChIKey=ZWAUTNYPKHVAEZ-UHFFFAOYSA-N

InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C21H23NO2
Molecular Weight	321.4128
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 `Tue Apr 01 17:41:05 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:05 GMT 2025`
Record UNII	34CP6ER9F7
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Benzoic acid, 4-heptyl-, 4-cyanophenyl ester

Preferred Name

English

4-Cyanophenyl 4-heptylbenzoate

Systematic Name

English

Code System Code Type Description

CAS

38690-76-5

Created by admin on Tue Apr 01 17:41:05 GMT 2025 , Edited by admin on Tue Apr 01 17:41:05 GMT 2025

PRIMARY

FDA UNII

34CP6ER9F7

Created by admin on Tue Apr 01 17:41:05 GMT 2025 , Edited by admin on Tue Apr 01 17:41:05 GMT 2025

PRIMARY

ECHA (EC/EINECS)

254-084-0

Created by admin on Tue Apr 01 17:41:05 GMT 2025 , Edited by admin on Tue Apr 01 17:41:05 GMT 2025

PRIMARY

EPA CompTox

DTXSID8068129

Created by admin on Tue Apr 01 17:41:05 GMT 2025 , Edited by admin on Tue Apr 01 17:41:05 GMT 2025

PRIMARY

PUBCHEM

170097

Created by admin on Tue Apr 01 17:41:05 GMT 2025 , Edited by admin on Tue Apr 01 17:41:05 GMT 2025

PRIMARY