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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H19NO3
Molecular Weight 309.3591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Benzyl-5-methoxy-2-methyl-3-indoleacetic acid

SMILES

COC1=CC2=C(C=C1)N(CC3=CC=CC=C3)C(C)=C2CC(O)=O

InChI

InChIKey=ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
InChI=1S/C19H19NO3/c1-13-16(11-19(21)22)17-10-15(23-2)8-9-18(17)20(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C19H19NO3
Molecular Weight 309.3591
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 11:29:28 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:28 GMT 2023
Record UNII
5JSR5TT2JJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Benzyl-5-methoxy-2-methyl-3-indoleacetic acid
Systematic Name English
1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
Common Name English
5-Methoxy-2-methyl-1-(phenylmethyl)-1H-indole-3-acetic acid
Systematic Name English
NSC-54774
Code English
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-1-(phenylmethyl)-
Systematic Name English
Code System Code Type Description
NSC
54774
Created by admin on Sat Dec 16 11:29:28 GMT 2023 , Edited by admin on Sat Dec 16 11:29:28 GMT 2023
PRIMARY
CAS
59283-35-1
Created by admin on Sat Dec 16 11:29:28 GMT 2023 , Edited by admin on Sat Dec 16 11:29:28 GMT 2023
PRIMARY
FDA UNII
5JSR5TT2JJ
Created by admin on Sat Dec 16 11:29:28 GMT 2023 , Edited by admin on Sat Dec 16 11:29:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID40274304
Created by admin on Sat Dec 16 11:29:28 GMT 2023 , Edited by admin on Sat Dec 16 11:29:28 GMT 2023
PRIMARY
PUBCHEM
1372
Created by admin on Sat Dec 16 11:29:28 GMT 2023 , Edited by admin on Sat Dec 16 11:29:28 GMT 2023
PRIMARY