3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid

CAS Registry Number®

1338800-82-0

CAS Name

3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid

Molecular Formula

C17H20N4O2

Molecular Mass

312.37

Cite this Page

3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1338800-82-0 (retrieved 2024-11-25) (CAS RN: 1338800-82-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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)

InChIKey

InChIKey=MVGZBWCFHURVNS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C1=CC(=CC(=C1)C(C(=O)O)(C)C)CN2N=CN=C2)(C)C

Other Names for this Substance

  • Benzeneacetic acid, 3-(1-cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
  • 3-(1-Cyano-1-methylethyl)-α,α-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)benzeneacetic acid
  • 2-(3-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2-cyanopropan-2-yl)phenyl)-2-methylpropanoic acid

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