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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H21NO4
Molecular Weight 351.3957
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[5-[4-(Pentyloxy)phenyl]-3-isoxazolyl]benzoic acid

SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(O)=O

InChI

InChIKey=PDTXSIGPZDVVIX-UHFFFAOYSA-N
InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)

HIDE SMILES / InChI

Molecular Formula C21H21NO4
Molecular Weight 351.3957
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 19:55:43 GMT 2023
Edited
by admin
on Sat Dec 16 19:55:43 GMT 2023
Record UNII
XFU5XP8URQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[5-[4-(Pentyloxy)phenyl]-3-isoxazolyl]benzoic acid
Systematic Name English
Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-
Systematic Name English
4-[5-(4-Pentyloxyphenyl)isoxazol-3-yl]benzoic acid
Systematic Name English
Code System Code Type Description
CAS
179162-55-1
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
PUBCHEM
9975224
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
FDA UNII
XFU5XP8URQ
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY