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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14F3NO4
Molecular Weight 353.2926
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZOIC ACID

SMILES

COC1=CC=C(C=C1C(=O)NCC2=CC=C(C=C2)C(F)(F)F)C(O)=O

InChI

InChIKey=SHAYUHMSKQKLFZ-UHFFFAOYSA-N
InChI=1S/C17H14F3NO4/c1-25-14-7-4-11(16(23)24)8-13(14)15(22)21-9-10-2-5-12(6-3-10)17(18,19)20/h2-8H,9H2,1H3,(H,21,22)(H,23,24)

HIDE SMILES / InChI

Molecular Formula C17H14F3NO4
Molecular Weight 353.2926
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 Sat Dec 16 16:37:13 GMT 2023
Edited
by admin
on Sat Dec 16 16:37:13 GMT 2023
Record UNII
WY74VSE2QY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)BENZOIC ACID
Systematic Name English
MK 767 METABOLITE M11
Common Name English
BENZOIC ACID, 4-METHOXY-3-((((4-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)CARBONYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9798618
Created by admin on Sat Dec 16 16:37:13 GMT 2023 , Edited by admin on Sat Dec 16 16:37:13 GMT 2023
PRIMARY
CAS
330861-58-0
Created by admin on Sat Dec 16 16:37:13 GMT 2023 , Edited by admin on Sat Dec 16 16:37:13 GMT 2023
PRIMARY
FDA UNII
WY74VSE2QY
Created by admin on Sat Dec 16 16:37:13 GMT 2023 , Edited by admin on Sat Dec 16 16:37:13 GMT 2023
PRIMARY