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Details

Stereochemistry RACEMIC
Molecular Formula C15H18N2O3
Molecular Weight 274.315
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4,5-DIHYDRO-4-METHYL-4-(1-METHYLETHYL)-5-OXO-1H-IMIDAZOL-2-YL)-4-METHYLBENZOIC ACID

SMILES

CC(C)C1(C)N=C(NC1=O)C2=CC(C)=CC=C2C(O)=O

InChI

InChIKey=KFEFNHNXZQYTEW-UHFFFAOYSA-N
InChI=1S/C15H18N2O3/c1-8(2)15(4)14(20)16-12(17-15)11-7-9(3)5-6-10(11)13(18)19/h5-8H,1-4H3,(H,18,19)(H,16,17,20)

HIDE SMILES / InChI

Molecular Formula C15H18N2O3
Molecular Weight 274.315
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 Sat Dec 16 08:52:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:52:38 GMT 2023
Record UNII
9941875B0I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4,5-DIHYDRO-4-METHYL-4-(1-METHYLETHYL)-5-OXO-1H-IMIDAZOL-2-YL)-4-METHYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2-(4,5-DIHYDRO-4-METHYL-4-(1-METHYLETHYL)-5-OXO-1H-IMIDAZOL-2-YL)-4-METHYL-
Systematic Name English
Code System Code Type Description
CAS
100594-46-5
Created by admin on Sat Dec 16 08:52:38 GMT 2023 , Edited by admin on Sat Dec 16 08:52:38 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID60274068
Created by admin on Sat Dec 16 08:52:38 GMT 2023 , Edited by admin on Sat Dec 16 08:52:38 GMT 2023
PRIMARY
PUBCHEM
3034382
Created by admin on Sat Dec 16 08:52:38 GMT 2023 , Edited by admin on Sat Dec 16 08:52:38 GMT 2023
PRIMARY
FDA UNII
9941875B0I
Created by admin on Sat Dec 16 08:52:38 GMT 2023 , Edited by admin on Sat Dec 16 08:52:38 GMT 2023
PRIMARY
CAS
89318-82-1
Created by admin on Sat Dec 16 08:52:38 GMT 2023 , Edited by admin on Sat Dec 16 08:52:38 GMT 2023
PRIMARY