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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23NO
Molecular Weight 257.3706
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline, (R)-

SMILES

COC1=CC=C(C[C@H]2NCCC3=C2CCCC3)C=C1

InChI

InChIKey=NPEVCJZMQGZNET-QGZVFWFLSA-N
InChI=1S/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H23NO
Molecular Weight 257.3706
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:28:40 GMT 2025
Edited
by admin
on Wed Apr 02 20:28:40 GMT 2025
Record UNII
U7YNB2JK35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-Methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline, (R)-
Systematic Name English
(1R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
Preferred Name English
(R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
Systematic Name English
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-(p-methoxybenzyl)-, (+)-
Systematic Name English
(1R)-1-[(4-Methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline
Systematic Name English
(R)-1-(4-Methoxybenzyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline
Systematic Name English
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-, (1R)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID801155143
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
CAS
30356-08-2
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
FDA UNII
U7YNB2JK35
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
PUBCHEM
10125304
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY