2-tert-Butyl-4-cyclohexylphenyl nicotinate

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H27NO2
Molecular Weight	337.4553
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-tert-Butyl-4-cyclohexylphenyl nicotinate

Structure Search

SMILES

CC(C)(C)C1=CC(=CC=C1OC(=O)C2=CC=CN=C2)C3CCCCC3

InChI

InChIKey=IKARRQFFZRTPEB-UHFFFAOYSA-N

InChI=1S/C22H27NO2/c1-22(2,3)19-14-17(16-8-5-4-6-9-16)11-12-20(19)25-21(24)18-10-7-13-23-15-18/h7,10-16H,4-6,8-9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C22H27NO2
Molecular Weight	337.4553
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 `Wed Apr 02 17:20:56 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:56 GMT 2025`
Record UNII	H3ZW9L4JUQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Pyridinecarboxylic acid, 4-cyclohexyl-2-(1,1-dimethylethyl)phenyl ester

Preferred Name

English

2-tert-Butyl-4-cyclohexylphenyl nicotinate

Systematic Name

English

4-Cyclohexyl-2-(1,1-dimethylethyl)phenyl 3-pyridinecarboxylate

Systematic Name

English

Code System Code Type Description

PUBCHEM

198586

Created by admin on Wed Apr 02 17:20:56 GMT 2025 , Edited by admin on Wed Apr 02 17:20:56 GMT 2025

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EPA CompTox

DTXSID70229908

Created by admin on Wed Apr 02 17:20:56 GMT 2025 , Edited by admin on Wed Apr 02 17:20:56 GMT 2025

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ECHA (EC/EINECS)

279-260-4

Created by admin on Wed Apr 02 17:20:56 GMT 2025 , Edited by admin on Wed Apr 02 17:20:56 GMT 2025

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CAS

79781-87-6

Created by admin on Wed Apr 02 17:20:56 GMT 2025 , Edited by admin on Wed Apr 02 17:20:56 GMT 2025

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FDA UNII

H3ZW9L4JUQ

Created by admin on Wed Apr 02 17:20:56 GMT 2025 , Edited by admin on Wed Apr 02 17:20:56 GMT 2025

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