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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17NO6
Molecular Weight 331.32
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2,5-DIMETHOXYBENZYLOXYCARBONYL)-P-AMINOBENZOIC ACID

SMILES

COC1=CC=C(OC)C(COC(=O)NC2=CC=C(C=C2)C(O)=O)=C1

InChI

InChIKey=VPXWPFYQPWMMGU-UHFFFAOYSA-N
InChI=1S/C17H17NO6/c1-22-14-7-8-15(23-2)12(9-14)10-24-17(21)18-13-5-3-11(4-6-13)16(19)20/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)

HIDE SMILES / InChI

Molecular Formula C17H17NO6
Molecular Weight 331.32
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:15:40 GMT 2023
Edited
by admin
on Fri Dec 15 15:15:40 GMT 2023
Record UNII
821K3ZL01J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2,5-DIMETHOXYBENZYLOXYCARBONYL)-P-AMINOBENZOIC ACID
Common Name English
BENZOIC ACID, 4-((((2,5-DIMETHOXYPHENYL)METHOXY)CARBONYL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
21528017
Created by admin on Fri Dec 15 15:15:40 GMT 2023 , Edited by admin on Fri Dec 15 15:15:40 GMT 2023
PRIMARY
FDA UNII
821K3ZL01J
Created by admin on Fri Dec 15 15:15:40 GMT 2023 , Edited by admin on Fri Dec 15 15:15:40 GMT 2023
PRIMARY
CAS
38618-47-2
Created by admin on Fri Dec 15 15:15:40 GMT 2023 , Edited by admin on Fri Dec 15 15:15:40 GMT 2023
PRIMARY