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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23NO4
Molecular Weight 353.4116
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(benzyloxy)-5-[(2E)-2-(tert-butylimino)acetyl]benzoate

SMILES

COC(=O)C1=C(OCC2=CC=CC=C2)C=CC(=C1)C(=O)\C=N\C(C)(C)C

InChI

InChIKey=PBRFJGRNLXKQIA-LPYMAVHISA-N
InChI=1S/C21H23NO4/c1-21(2,3)22-13-18(23)16-10-11-19(17(12-16)20(24)25-4)26-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3/b22-13+

HIDE SMILES / InChI

Molecular Formula C21H23NO4
Molecular Weight 353.4116
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:22:41 GMT 2023
Edited
by admin
on Sat Dec 16 20:22:41 GMT 2023
Record UNII
2X63MQ7YQF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2-(benzyloxy)-5-[(2E)-2-(tert-butylimino)acetyl]benzoate
Systematic Name English
Benzoic acid, 5-[(2E)-2-[(1,1-dimethylethyl)imino]acetyl]-2-(phenylmethoxy)-, methyl ester
Systematic Name English
Methyl 5-[2-[(1,1-dimethylethyl)imino]acetyl]-2-(phenylmethoxy)benzoate
Systematic Name English
Benzoic acid, 5-[2-[(1,1-dimethylethyl)imino]acetyl]-2-(phenylmethoxy)-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
2X63MQ7YQF
Created by admin on Sat Dec 16 20:22:41 GMT 2023 , Edited by admin on Sat Dec 16 20:22:41 GMT 2023
PRIMARY
CAS
2922089-90-3
Created by admin on Sat Dec 16 20:22:41 GMT 2023 , Edited by admin on Sat Dec 16 20:22:41 GMT 2023
PRIMARY
CAS
345322-10-3
Created by admin on Sat Dec 16 20:22:41 GMT 2023 , Edited by admin on Sat Dec 16 20:22:41 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY