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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23NO.C8H8O3
Molecular Weight 409.5179
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (S)-?-hydroxybenzeneacetate

SMILES

O[C@H](C(O)=O)C1=CC=CC=C1.COC2=CC=C(C[C@H]3NCCC4=C3CCCC4)C=C2

InChI

InChIKey=NUIUICMCHFGASF-WGQPUWCPSA-N
InChI=1S/C17H23NO.C8H8O3/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;9-7(8(10)11)6-4-2-1-3-5-6/h6-9,17-18H,2-5,10-12H2,1H3;1-5,7,9H,(H,10,11)/t17-;7-/m10/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Benzeneacetic acid, ?-hydroxy-, (S)-, compd. with (R)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (1:1)
Preferred Name English
(R)-1,2,3,4,5,6,7,8-Octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (S)-?-hydroxybenzeneacetate
Systematic Name English
Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-, (R)-, (S)-?-hydroxybenzeneacetate
Systematic Name English
Benzeneacetic acid, ?-hydroxy-, (?S)-, compd. with (1R)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline (1:1)
Common Name English
Code System Code Type Description
FDA UNII
3BQ4FG97YH
Created by admin on Wed Apr 02 20:52:23 GMT 2025 , Edited by admin on Wed Apr 02 20:52:23 GMT 2025
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EPA CompTox
DTXSID30915193
Created by admin on Wed Apr 02 20:52:23 GMT 2025 , Edited by admin on Wed Apr 02 20:52:23 GMT 2025
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PUBCHEM
171390250
Created by admin on Wed Apr 02 20:52:23 GMT 2025 , Edited by admin on Wed Apr 02 20:52:23 GMT 2025
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CAS
94992-57-1
Created by admin on Wed Apr 02 20:52:23 GMT 2025 , Edited by admin on Wed Apr 02 20:52:23 GMT 2025
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