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Details

Stereochemistry RACEMIC
Molecular Formula C17H25NO2
Molecular Weight 275.3859
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-(3,5,5-TRIMETHYLHEXYLIDENEAMINO)BENZOATE

SMILES

COC(=O)C1=C(C=CC=C1)\N=C\CC(C)CC(C)(C)C

InChI

InChIKey=GDZCMPXAZSTQGM-WOJGMQOQSA-N
InChI=1S/C17H25NO2/c1-13(12-17(2,3)4)10-11-18-15-9-7-6-8-14(15)16(19)20-5/h6-9,11,13H,10,12H2,1-5H3/b18-11+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
ISONOMILAT 258 E
Preferred Name English
METHYL 2-(3,5,5-TRIMETHYLHEXYLIDENEAMINO)BENZOATE
Systematic Name English
BENZOIC ACID, 2-((3,5,5-TRIMETHYLHEXYLIDENE)AMINO)-, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30867345
Created by admin on Wed Apr 02 09:16:58 GMT 2025 , Edited by admin on Wed Apr 02 09:16:58 GMT 2025
PRIMARY
FDA UNII
OVO3SUJ88V
Created by admin on Wed Apr 02 09:16:58 GMT 2025 , Edited by admin on Wed Apr 02 09:16:58 GMT 2025
PRIMARY
CAS
67801-42-7
Created by admin on Wed Apr 02 09:16:58 GMT 2025 , Edited by admin on Wed Apr 02 09:16:58 GMT 2025
PRIMARY
ECHA (EC/EINECS)
267-162-4
Created by admin on Wed Apr 02 09:16:58 GMT 2025 , Edited by admin on Wed Apr 02 09:16:58 GMT 2025
PRIMARY
NIH
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