CAS
91407-48-6 Purity
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91407-48-6 Purity
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![4-[[1-[(3-Hydroxyphenyl)methyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl]oxy]-2-(trifluoromethyl)benzonitrile](https://resource.alfa-chemistry.com/structure/914101-08-9.gif)
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4-[[1-[(2-Hydroxyphenyl)methyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl]oxy]-2-(trifluoromethyl)benzonitrile
CAS
914101-06-7
Catalog Number
ACM914101067
Category
Other Products
Molecular Weight
298.33642;g/mol
Molecular Formula
C21H19F3N2O3
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Specification
IUPAC Name
2-(4-methoxyphenoxy)-N-(1-phenylethylideneamino)acetamide
Canonical SMILES
CC(=NNC(=O)COC1=CC=C(C=C1)OC)C2=CC=CC=C2
InChI Key
IUDDEASQCHYCKM-UHFFFAOYSA-N
What is the molecular formula of the compound?
The molecular formula of the compound is C21H19F3N2O3.
When was the compound created and modified?
The compound was created on 2012-03-06 and modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 4-[1-[(2-hydroxyphenyl)methyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl]oxy-2-(trifluoromethyl)benzonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is GASSYLHJBZBZAQ-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1(CN(C(=O)C1OC2=CC(=C(C=C2)C#N)C(F)(F)F)CC3=CC=CC=C3O)C.
What is the molecular weight of the compound?
The molecular weight of the compound is 404.4 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass of the compound is 404.13477696 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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