Ethyl 2-cyano-2-phenylbutanoate

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C13H15NO2
Molecular Weight	217.2637
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl 2-cyano-2-phenylbutanoate

Structure Search

SMILES

CCOC(=O)C(CC)(C#N)C1=CC=CC=C1

InChI

InChIKey=VCJAUIYSQAXNGB-UHFFFAOYSA-N

InChI=1S/C13H15NO2/c1-3-13(10-14,12(15)16-4-2)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H15NO2
Molecular Weight	217.2637
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 `Wed Apr 02 20:48:08 GMT 2025` Edited by `admin` on `Wed Apr 02 20:48:08 GMT 2025`
Record UNII	K9W88T87XA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-69121

Preferred Name

English

Ethyl 2-cyano-2-phenylbutanoate

Systematic Name

English

Ethyl ?-cyano-?-ethylbenzeneacetate

Systematic Name

English

Benzeneacetic acid, ?-cyano-?-ethyl-, ethyl ester

Systematic Name

English

Code System Code Type Description

CAS

718-71-8

Created by admin on Wed Apr 02 20:48:08 GMT 2025 , Edited by admin on Wed Apr 02 20:48:08 GMT 2025

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FDA UNII

K9W88T87XA

Created by admin on Wed Apr 02 20:48:08 GMT 2025 , Edited by admin on Wed Apr 02 20:48:08 GMT 2025

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PUBCHEM

250114

Created by admin on Wed Apr 02 20:48:08 GMT 2025 , Edited by admin on Wed Apr 02 20:48:08 GMT 2025

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NSC

69121

Created by admin on Wed Apr 02 20:48:08 GMT 2025 , Edited by admin on Wed Apr 02 20:48:08 GMT 2025

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EPA CompTox

DTXSID60290526

Created by admin on Wed Apr 02 20:48:08 GMT 2025 , Edited by admin on Wed Apr 02 20:48:08 GMT 2025

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