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Details

Stereochemistry RACEMIC
Molecular Formula C19H19NO4
Molecular Weight 325.3585
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-((3-(1,3-BENZODIOXOL-5-YL)-2-METHYLPROPYLIDENE)AMINO)BENZOIC ACID METHYL ESTER

SMILES

COC(=O)C1=C(C=CC=C1)\N=C\C(C)CC2=CC3=C(OCO3)C=C2

InChI

InChIKey=FMKWHJXRMHLTPO-RGVLZGJSSA-N
InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,13H,9,12H2,1-2H3/b20-11+

HIDE SMILES / InChI

Molecular Formula C19H19NO4
Molecular Weight 325.3585
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:52:09 GMT 2023
Edited
by admin
on Sat Dec 16 07:52:09 GMT 2023
Record UNII
9D297714YE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((3-(1,3-BENZODIOXOL-5-YL)-2-METHYLPROPYLIDENE)AMINO)BENZOIC ACID METHYL ESTER
Systematic Name English
BENZOIC ACID, 2-((3-(1,3-BENZODIOXOL-5-YL)-2-METHYLPROPYLIDENE)AMINO)-, METHYL ESTER
Systematic Name English
HELIOFORTE
Common Name English
BENZOIC ACID, 2-((3-(1,3-BENZODIOXOL-5-YL)-2-METHYL-1-PROPENYL)AMINO)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
125778-19-0
Created by admin on Sat Dec 16 07:52:09 GMT 2023 , Edited by admin on Sat Dec 16 07:52:09 GMT 2023
NON-SPECIFIC SUBSTITUTION
CAS
104037-85-6
Created by admin on Sat Dec 16 07:52:09 GMT 2023 , Edited by admin on Sat Dec 16 07:52:09 GMT 2023
NON-SPECIFIC SUBSTITUTION
PUBCHEM
4100752
Created by admin on Sat Dec 16 07:52:09 GMT 2023 , Edited by admin on Sat Dec 16 07:52:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID60869413
Created by admin on Sat Dec 16 07:52:09 GMT 2023 , Edited by admin on Sat Dec 16 07:52:09 GMT 2023
PRIMARY
FDA UNII
9D297714YE
Created by admin on Sat Dec 16 07:52:09 GMT 2023 , Edited by admin on Sat Dec 16 07:52:09 GMT 2023
PRIMARY
CAS
111753-60-7
Created by admin on Sat Dec 16 07:52:09 GMT 2023 , Edited by admin on Sat Dec 16 07:52:09 GMT 2023
PRIMARY