2-(3-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2-CYANOPROPAN-2-YL)PHENYL)-2-METHYLPROPANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H20N4O2
Molecular Weight	312.3663
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2-CYANOPROPAN-2-YL)PHENYL)-2-METHYLPROPANOIC ACID

Structure Search

SMILES

CC(C)(C#N)C1=CC(=CC(CN2C=NC=N2)=C1)C(C)(C)C(O)=O

InChI

InChIKey=MVGZBWCFHURVNS-UHFFFAOYSA-N

InChI=1S/C17H20N4O2/c1-16(2,9-18)13-5-12(8-21-11-19-10-20-21)6-14(7-13)17(3,4)15(22)23/h5-7,10-11H,8H2,1-4H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C17H20N4O2
Molecular Weight	312.3663
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 `Sat Dec 16 10:50:09 GMT 2023` Edited by `admin` on `Sat Dec 16 10:50:09 GMT 2023`
Record UNII	PZ2ECR4ZKU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(3-((1H-1,2,4-TRIAZOL-1-YL)METHYL)-5-(2-CYANOPROPAN-2-YL)PHENYL)-2-METHYLPROPANOIC ACID

Systematic Name

English

3-(1-CYANO-1-METHYLETHYL)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZENEACETIC ACID

Systematic Name

English

ANASTROZOLE NITRILE ACID

Common Name

English

BENZENEACETIC ACID, 3-(1-CYANO-1-METHYLETHYL)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-

Systematic Name

English

ANASTROZOLE MONOACID

Common Name

English

Code System Code Type Description

FDA UNII

PZ2ECR4ZKU

Created by admin on Sat Dec 16 10:50:09 GMT 2023 , Edited by admin on Sat Dec 16 10:50:09 GMT 2023

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CAS

1338800-82-0

Created by admin on Sat Dec 16 10:50:09 GMT 2023 , Edited by admin on Sat Dec 16 10:50:09 GMT 2023

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PUBCHEM

123361825

Created by admin on Sat Dec 16 10:50:09 GMT 2023 , Edited by admin on Sat Dec 16 10:50:09 GMT 2023

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EPA CompTox

DTXSID401124564

Created by admin on Sat Dec 16 10:50:09 GMT 2023 , Edited by admin on Sat Dec 16 10:50:09 GMT 2023

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