U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H23NO2
Molecular Weight 261.3593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-(octylideneamino)benzoate

SMILES

CCCCCCCC=NC1=C(C=CC=C1)C(=O)OC

InChI

InChIKey=YHXKDPQWWGRLRC-GHRIWEEISA-N
InChI=1S/C16H23NO2/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16(18)19-2/h8-9,11-13H,3-7,10H2,1-2H3/b17-13+

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 2-(octylideneamino)benzoate
Systematic Name English
OCMEA
Common Name English
BENZOIC ACID, 2-(OCTYLIDENEAMINO)-, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID4070619
Created by admin on Sat Dec 16 07:59:58 GMT 2023 , Edited by admin on Sat Dec 16 07:59:58 GMT 2023
PRIMARY
CAS
67801-44-9
Created by admin on Sat Dec 16 07:59:58 GMT 2023 , Edited by admin on Sat Dec 16 07:59:58 GMT 2023
PRIMARY
PUBCHEM
105651
Created by admin on Sat Dec 16 07:59:58 GMT 2023 , Edited by admin on Sat Dec 16 07:59:58 GMT 2023
PRIMARY
ECHA (EC/EINECS)
267-165-0
Created by admin on Sat Dec 16 07:59:58 GMT 2023 , Edited by admin on Sat Dec 16 07:59:58 GMT 2023
PRIMARY
FDA UNII
8A36T93BX4
Created by admin on Sat Dec 16 07:59:58 GMT 2023 , Edited by admin on Sat Dec 16 07:59:58 GMT 2023
PRIMARY